This is the EXP data set referred to in the paper "Linking Crystallographic Model and Data Quality" by P. Andrew Karplus and Kay Diederichs, Science 336, 1030 (2012). The raw data for 3ELN were never deposited. The data deposited here are nicely fit by 3ELN, but they are about 15 times weaker than the original 3ELN data.
Data DOI: 10.15785/SBGRID/751 | PDB ID 3ELN: RCSB PDBe | Published: 28 Jan 2020
Diederichs Laboratory, University of Konstanz
Native dataset at 2.4 A resolution.
Data DOI: 10.15785/SBGRID/748 | PDB ID 6VAX: RCSB PDBe | Published: 1 Sep 2020
Iverson Laboratory, Vanderbilt University
Hen lysozyme in triclinic space group at ambient temperature, diffuse scattering dataset
Data DOI: 10.15785/SBGRID/747 | PDB ID 6O2H: RCSB PDBe | Published: 28 Feb 2020
Ando Laboratory, Cornell University
Simulated lysozyme data set - the diffraction images were generated by MLFSOM. The calculation of structure factors was based on the gadolinium derivative of tetragonal Hen Egg-White Lysozyme (PDB 1H87), all the alternative conformations of residues were removed.
Data DOI: 10.15785/SBGRID/746 | Published: 29 May 2020
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
Native and Se-Met derivative data used for SAD structure determination.
Data DOI: 10.15785/SBGRID/742 | PDB ID 6TL1: RCSB PDBe | Published: 8 Sep 2020
Modis Laboratory, University of Cambridge
X-Ray Diffraction data from human thrombin:sulfated TTI complex, source of 6TKL structure
Data DOI: 10.15785/SBGRID/741 | PDB ID 6TKL: RCSB PDBe | Published: 27 Oct 2020
Pereira Laboratory, IBMC/i3S, Universidade do Porto
X-Ray Diffraction data from human thrombin:sulfated TTI complex, source of 6TKJ structure
Data DOI: 10.15785/SBGRID/740 | PDB ID 6TKJ: RCSB PDBe | Published: 27 Oct 2020
Pereira Laboratory, IBMC/i3S, Universidade do Porto
X-Ray Diffraction data from human thrombin:sulfated TTI complex, source of 6TKI structure
Data DOI: 10.15785/SBGRID/739 | PDB ID 6TKI: RCSB PDBe | Published: 27 Oct 2020
Pereira Laboratory, IBMC/i3S, Universidade do Porto
X-Ray Diffraction data from human thrombin:sulfated TTI complex, source of 6TKH structure
Data DOI: 10.15785/SBGRID/738 | PDB ID 6TKH: RCSB PDBe | Published: 27 Oct 2020
Pereira Laboratory, IBMC/i3S, Universidade do Porto
X-Ray Diffraction data from human thrombin:sulfated TTI complex, source of 6TKG structure
Data DOI: 10.15785/SBGRID/737 | PDB ID 6TKG: RCSB PDBe | Published: 27 Oct 2020
Pereira Laboratory, IBMC/i3S, Universidade do Porto
X-Ray Diffraction data from Photobacterium damselae subsp. piscicida NlpC/P60 endopeptidase, source of 6SQX structure
Data DOI: 10.15785/SBGRID/736 | PDB ID 6SQX: RCSB PDBe | Published: 14 Jul 2020
Pereira Laboratory, IBMC/i3S, Universidade do Porto
Native dataset for apo trimer form of Vibrio metoecus NucC
Data DOI: 10.15785/SBGRID/734 | PDB ID 6UXF: RCSB PDBe | Published: 20 Dec 2019
Corbett Laboratory, University of California, San Diego
Process to 1.45 A in XDS
Data DOI: 10.15785/SBGRID/732 | PDB ID 6Q1H: RCSB PDBe | Published: 20 Dec 2019
Corbett Laboratory, University of California, San Diego
native data set; best data set collected; contained multiple lattices
Data DOI: 10.15785/SBGRID/731 | PDB ID 6ORR: RCSB PDBe | Published: 6 Dec 2019
Gaudet Laboratory, Harvard University
X-Ray Diffraction data from HIV-1 protease in complex with an ethyleneamine inhibitor ("WT-OE"), source of 1M0B structure
Data DOI: 10.15785/SBGRID/730 | PDB ID 1M0B: RCSB PDBe | Publication DOI: 10.1111/j.1432-1033.2004.04384.x | Published: 6 Dec 2019
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
X-Ray Diffraction data from HIV-1 protease with a hydroxyethylamine peptidomimetic inhibitor ("WT-RE") , source of 1ZSF structure
Data DOI: 10.15785/SBGRID/729 | PDB ID 1ZSF: RCSB PDBe | Publication DOI: 10.1107/S0907444906006718 | Published: 6 Dec 2019
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
X-Ray Diffraction data from HIV-1 protease with a hydroxyethylamine peptidomimetic inhibitor ("WT-SQ"), source of 1IIQ structure
Data DOI: 10.15785/SBGRID/728 | PDB ID 1IIQ: RCSB PDBe | Publication DOI: 10.1021/jm010979e | Published: 6 Dec 2019
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
X-Ray Diffraction data from HIV-1 protease with a peptidomimetic inhibitor ("WT-SE") , source of 1FQX structure
Data DOI: 10.15785/SBGRID/727 | PDB ID 1FQX: RCSB PDBe | Publication DOI: 10.1107/S0907444900018928 | Published: 6 Dec 2019
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
X-Ray Diffraction data from monomeric form of human LLT1, a ligand for NKR-P1, source of 4QKG structure
Data DOI: 10.15785/SBGRID/726 | PDB ID 4QKG: RCSB PDBe | Publication DOI: 10.1107/S1399004714027928 | Published: 1 Oct 2019
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
X-Ray Diffraction data from Mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor ("I8-SE"), source of 1ZJ7 structure
Data DOI: 10.15785/SBGRID/725 | PDB ID 1ZJ7: RCSB PDBe | Publication DOI: 10.1021/jm0605583 | Published: 1 Oct 2019
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
