X-Ray Diffraction data from Hose liver alcohol dehydrogenase L57F substitution, NAD + pentafluorobenzyl alcohol, source of 6O91 structure

High resolution pass ("_1.????") at 120 mm, 0.25 deg oscillations, 360 deg total and low resolution pass ("_2.????) at 200 mm with 0.5 deg oscillations over 360 deg total.


X-Ray Diffraction data from D. melanogaster Dpr10 IG1 bound to DIP-alpha IG1, source of 6NRQ structure

Native dataset


X-Ray Diffraction data from D. melanogaster DIP-eta IG1 homodimer, source of 6NRX structure

Native dataset


X-Ray Diffraction data from D. melanogaster DIP-gamma IG1+IG2, source of 6NS1 structure

native dataset


X-Ray Diffraction data from D. melanogaster Dpr1 IG1 bound to DIP-eta IG1, source of 6NRW structure

Native dataset


X-Ray Diffraction data from D. melanogaster Dpr11 IG1 bound to DIP-gamma IG1+IG2, source of 6NRR structure

Native dataset


X-Ray Diffraction data from protein, source of 6NMW structure

Complete data set from a single crystal for Lyn kinase SH3 domain


X-Ray Diffraction data from RSV G peptide bound to Fab CB017.5, source of 6BLH structure

Complete data set from one single crystal used to solve the structure of the antibody-bound complex.


X-Ray Diffraction data from RSV G peptide bound to Fab CB002.5, source of 6BLI structure

Complete data set from one crystal used to solve the structure of the G peptide-Fab complex.


X-Ray Diffraction data from YbtT - Type II thioesterase from Yerseniabactin NRPS/PKS biosynthetic pathway - S89A mutant, source of 6BA9 structure

high resolution native data set


X-Ray Diffraction data from YbtT - Type II thioesterase from Yerseniabactin NRPS/PKS biosynthetic pathway, source of 6BA8 structure

High resolution native data set


X-Ray Diffraction data from Bdf1 bromodomain BD1 from Candida albicans, source of 5N15 structure

Native dataset


HADDOCK membrane protein-protein complex models

Decoys of a membrane protein complex docking benchmark. The decoys were obtained after docking with the HADDOCK webserver (v2.2) and they belong in two sets which reflect two extreme docking scenarios. One where we would have no information about the nature of the interaction and we use random restraints to drive the docking, and one where we use restraints extracted from the interface of the native complex to drive the docking. We have generated 50800 structures for the first scenario, distributed in three stages: 50000, 400 and 400 for the rigid-body, simulated annealing and flexible refinement stages respectively. We have generated 10800 structures for the second scenario distributed in three stages: 10000, 400 and 400 for the rigid-body, simulated annealing and flexible refinement stages respectively.


X-Ray Diffraction data from C. glabrata Csm1:S. cerevisiae Dsn1(71-110) complex, source of 6MJE structure

Native dataset for C. glabrata Csm1:S. cerevisiae Dsn1(71-110) complex


X-Ray Diffraction data from Candida glabrata Csm1:Dsn(43-67DD) complex, source of 6MJC structure

Native dataset for Candida glabrata Csm1:Dsn(43-67DD) complex


X-Ray Diffraction data from Candida glabrata Csm1:Dsn1(14-72) complex, source of 6MJB structure

Native dataset for Candida glabrata Csm1:Dsn1(14-72) complex


X-Ray Diffraction data from Candida glabrata Csm1:Mam1 complex, source of 6MJ8 structure

Two native datasets from different crystals, which were indexed separately then scaled together to give the final dataset for refinement.


X-Ray Diffraction data from Methyltransferase, source of structure

X-Ray Diffraction data from M. hassiacum MeT1. P3121 low resolution native.


X-Ray Diffraction data from Methyltransferase, source of structure

X-Ray Diffraction data from M. hassiacum MeT1. MAD dataset, inflection point of Pb.


X-Ray Diffraction data from Methyltransferase, source of structure

X-Ray Diffraction data from M. hassiacum MeT1. MAD dataset, peak of Pb.