5VBE
Crystal Structure of Small Molecule Disulfide 2C07 Bound to H-Ras 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 | 2014-08-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | H 3 2 |
Unit cell lengths | 92.648, 92.648, 120.532 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.324 - 1.570 |
R-factor | 0.1782 |
Rwork | 0.177 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lyj |
RMSD bond length | 0.019 |
RMSD bond angle | 1.097 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 4.260 | 1.600 |
High resolution limit [Å] | 1.570 | 3.380 | 1.570 |
Rmerge | 0.074 | 0.034 | 0.837 |
Number of reflections | 27936 | ||
<I/σ(I)> | 7.7 | ||
Completeness [%] | 99.8 | 100 | 97.3 |
Redundancy | 10.9 | 10.8 | 9.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 293 | 22% PEG8000 .1M Tris HCl (pH 7.7) .1 M CaCl2 |