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 |
