6H4J
Usp25 catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.8729 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.945, 202.629, 169.594 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.540 - 3.070 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6h4i |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.540 | 3.280 |
| High resolution limit [Å] | 3.070 | 3.070 |
| Rpim | 0.067 | 0.754 |
| Number of reflections | 26854 | 4806 |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 26.9 | 26.9 |
| CC(1/2) | 0.999 | 0.509 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Hepes pH 7.5 12% w/v PEG4000 0.2 M MgCl2 |
