6VJJ
Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 44.132, 67.572, 71.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.030 - 1.400 |
R-factor | 0.1659 |
Rwork | 0.165 |
R-free | 0.19490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g0n |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.030 | 49.030 | 1.440 |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.064 | 0.037 | 0.687 |
Rmeas | 0.072 | 0.041 | 0.782 |
Total number of observations | 387827 | ||
Number of reflections | 81103 | 912 | 6024 |
<I/σ(I)> | 12.58 | 31.4 | 2.18 |
Completeness [%] | 99.9 | 99.8 | 100 |
Redundancy | 4.782 | 4.839 | 4.402 |
CC(1/2) | 0.998 | 0.998 | 0.772 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.09M Halogens, 0.1M Imidazole.MES pH 6.5, 37.5% MPD, PEG 1000 and PEG 3350 |