5CDW
Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide
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 | CCD |
Collection date | 2011-04-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.650, 72.140, 172.140 |
Unit cell angles | 90.00, 93.31, 90.00 |
Refinement procedure
Resolution | 41.256 - 2.602 |
R-factor | 0.2388 |
Rwork | 0.236 |
R-free | 0.29420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jyr |
RMSD bond length | 0.002 |
RMSD bond angle | 0.592 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.256 | 2.730 | |
High resolution limit [Å] | 2.602 | 11.920 | 2.602 |
Rmerge | 0.100 | 0.036 | |
Rmeas | 0.136 | 0.050 | |
Total number of observations | 96102 | ||
Number of reflections | 61923 | 1172 | |
<I/σ(I)> | 12.09 | 16.04 | |
Completeness [%] | 99.0 | 93.4 | |
Redundancy | 3.72 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.335M Potassium thiocyanate, 31% (w/v) PEG 8000 |