7A1X
KRASG12C GDP form in complex with Cpd1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.070, 40.690, 91.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.080 - 1.320 |
Rwork | 0.148 |
R-free | 0.17390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in-house model |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.760 | 1.360 |
High resolution limit [Å] | 1.320 | 1.320 |
Rmerge | 0.045 | 0.077 |
Number of reflections | 35010 | 2516 |
<I/σ(I)> | 26.3 | 14.4 |
Completeness [%] | 99.8 | 97.5 |
Redundancy | 6.2 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | TRIS 100mM - PEG 4K 23% - Na Acet 100mM - pH8.5 |