1RPY
CRYSTAL STRUCTURE OF THE DIMERIC SH2 DOMAIN OF APS
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 90 |
Collection date | 2002-07-18 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 78.378, 78.378, 67.330 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.228 |
Rwork | 0.228 |
R-free | 0.25500 * |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.051 * | 0.183 * |
Total number of observations | 75619 * | |
Number of reflections | 19797 * | |
<I/σ(I)> | 19.8 | |
Completeness [%] | 96.4 * | 98.7 * |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 | 4 * | Ammonium sulfate/tris, pH 7.5, pH 7.50 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 7 (mg/ml) | |
2 | 1 | reservoir | ammonium sulfate | 1.4 (M) | |
3 | 1 | reservoir | Tris | 100 (M) | pH7.5 |