4HJP
SHP-1 catalytic domain WPD loop open
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-10-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1000 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 45.482, 57.388, 110.808 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.076 - 1.399 |
R-factor | 0.1652 |
Rwork | 0.164 |
R-free | 0.18600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fpr |
RMSD bond length | 0.010 |
RMSD bond angle | 1.345 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.450 |
High resolution limit [Å] | 1.399 | 1.399 |
Number of reflections | 57587 | |
<I/σ(I)> | 29.763 | 2.182 |
Completeness [%] | 99.4 | 98.2 |
Redundancy | 5.9 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES pH 7.5, 1.0 M tri-sodium citrate, 2-4% 1-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |