Data DOI: 10.15785/SBGRID/162 | ID: 162
Publication DOI: 10.1073/pnas.1404639111
4NMM Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Westover Laboratory, UT Southwestern Medical Center
Release Date: 28 Aug 2015
1. If this dataset is locally available, it should be accessable at /programs/datagrid/162
2. To download this dataset, please run the following command from your Terminal on a Linux or OS X workstation:
'rsync -av rsync://data.sbgrid.org/10.15785/SBGRID/162 .' (Harvard Medical School, USA)
Depending on your location, faster access may be available from a Tier 1 site closer to your location
'rsync -av rsync://sbgrid.icm.uu.se/10.15785/SBGRID/162 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/162 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/162 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 162 ; shasum -c files.sha'
Storage requirements: 6.4G
Biological Sample:
Human GTPase KRAS G12C Bound to a Novel GDP Competitive Covalent Inhibitor
Dataset Type:
X-Ray Diffraction
Subject Composition:
Ligand, Protein
Collection Facility:
APS Beamline 19-ID
Data Creation Date:
12 Jun 2013
Related Datasets:
None
Hunter, JC; Westover, KD; Westover, K. 2015. "X-Ray Diffraction data for: Human GTPase KRAS G12C Bound to a Novel GDP Competitive Covalent Inhibitor. PDB Code 4NMM", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/162.
X-Ray diffraction data collected from a crystal of oncogenic mutant of human GTPase KRAS G12C bound to a novel GDP competitive covalent inhibitor, SML-8-73-1.
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| John C Hunter | Data Collector, Depositor | UT Southwestern Medical Center at Dallas |
| Kenneth D Westover | UT Southwestern Medical Center at Dallas | |
| Ken Westover | PI | UT Southwestern Medical Center |
none
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97921
Sweep:
SWEEP1
Files:
/programs/datagrid/162/SML-7.####.img
Images:
1 - 360
Beam:
(154.5, 159.98) -> (154.5, 161.42)
Distance:
238.29 -> 236.92
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.57 | 4.25 | 1.57 |
| Low resolution limit | 24.3 | 24.3 | 1.6 |
| Completeness | 99.5 | 100.0 | 93.0 |
| Multiplicity | 6.2 | 6.3 | 3.3 |
| I/sigma | 9.3 | 28.6 | 0.7 |
| Rmerge | 0.1 | 0.043 | 1.518 |
| CC half | 0.998 | 0.999 | 0.343 |
| Anomalous completeness | 96.9 | 99.4 | 78.2 |
| Anomalous multiplicity | 3.4 | 3.4 | 3.4 |
| Cell | 39.12 | 42.14 | 91.53 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97921
Sweep:
SWEEP1
Files:
/programs/datagrid/162/SML-7.####.img
Images:
1 - 360
Beam:
(154.5, 159.98) -> (154.5, 161.44)
Distance:
238.29 -> 237.42
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.56 | 4.23 | 1.56 |
| Low resolution limit | 38.28 | 38.29 | 1.59 |
| Completeness | 99.3 | 100.0 | 91.7 |
| Multiplicity | 6.2 | 6.3 | 3.2 |
| I/sigma | 9.2 | 28.6 | 0.6 |
| Rmerge | 0.101 | 0.043 | 1.713 |
| CC half | 0.998 | 0.998 | 0.296 |
| Anomalous completeness | 96.4 | 99.4 | 75.2 |
| Anomalous multiplicity | 3.3 | 3.3 | 3.3 |
| Cell | 39.12 | 42.14 | 91.53 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Reprocessing failed.
License: CC0
Terms: Our Community Norms as well as good scientific practices expect that proper credit is given via citation. Please use the data citation, as generated by the SBGrid Data Bank.
