5VBM
Crystal Structure of Small Molecule Disulfide 2C07 Bound to K-Ras Cys Light M72C GDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.600, 41.180, 111.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.550 - 1.490 |
R-factor | 0.1735 |
Rwork | 0.172 |
R-free | 0.19620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lyj |
RMSD bond length | 0.007 |
RMSD bond angle | 1.105 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.3.8) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.550 | 1.510 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.053 | 0.255 |
Rmeas | 0.062 | 0.306 |
Rpim | 0.032 | 0.166 |
Number of reflections | 25082 | 1077 |
<I/σ(I)> | 15.7 | |
Completeness [%] | 98.7 | 91.8 |
Redundancy | 3.7 | 2.9 |
CC(1/2) | 0.998 | 0.932 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 33% PEG4000 .1 M Na Citrate (pH 4.6) .2 M Ammonium Acetate .22 M KCl (10% Additive of 2.2 M KCL) |