4GRY
Crystal structure of SHP1 catalytic domain with SO4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-21 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9801 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 45.644, 57.281, 110.877 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.676 - 1.700 |
R-factor | 0.192 |
Rwork | 0.190 |
R-free | 0.23060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fpr |
RMSD bond length | 0.006 |
RMSD bond angle | 0.994 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 29703 | |
<I/σ(I)> | 19.545 | 3.53 |
Completeness [%] | 90.5 | 97.5 |
Redundancy | 5.9 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M MES pH 6.5, 1.5 M ammonium sulfate, 3% PEG400, VAPOR DIFFUSION, HANGING DROP, temperature 298K |