4HJQ
SHP-1 catalytic domain WPD loop closed
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) | 0.98010 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.642, 57.783, 77.319 |
| Unit cell angles | 102.39, 94.71, 110.01 |
Refinement procedure
| Resolution | 28.904 - 1.801 |
| R-factor | 0.1673 |
| Rwork | 0.165 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fpr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.021 |
| 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] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 63496 | |
| <I/σ(I)> | 13.119 | 2.161 |
| Completeness [%] | 96.6 | 95.4 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES pH7.5, 20 mM MgCl2, 28% sodium polyacrylate 5100 , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
