5VBZ
Crystal Structure of Small Molecule Disulfide 2C07 Bound to H-Ras M72C GppNHp
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 | 2015-03-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.840, 75.440, 93.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.601 - 2.200 |
R-factor | 0.2125 |
Rwork | 0.210 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k9l |
RMSD bond length | 0.004 |
RMSD bond angle | 0.578 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 58.744 | 6.960 | 2.320 |
High resolution limit [Å] | 2.200 | 4.920 | 2.200 |
Rmerge | 0.150 | 0.069 | 0.654 |
Rmeas | 0.178 | 0.081 | 0.777 |
Rpim | 0.094 | 0.041 | 0.412 |
Number of reflections | 22134 | 3169 | |
<I/σ(I)> | 5.8 | 8.8 | 1 |
Completeness [%] | 97.0 | 99.7 | 97 |
Redundancy | 3.3 | 3.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 298 | 32% PEG4000 .1 M Na Cacodylate (pH 6.6) .2 M CaCl2 |