5E7O
Crystal structure of the perchlorate reductase PcrAB mutant W461E of PcrA from Azospira suillum PS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 12.3.1 |
| Synchrotron site | ALS |
| Beamline | 12.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0062 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 135.588, 253.134, 135.797 |
| Unit cell angles | 90.00, 119.77, 90.00 |
Refinement procedure
| Resolution | 48.318 - 2.400 |
| R-factor | 0.1976 |
| Rwork | 0.195 |
| R-free | 0.24880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ydd |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.657 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.320 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.145 | 0.820 |
| Number of reflections | 306131 | |
| <I/σ(I)> | 6.8 | 2 |
| Completeness [%] | 99.2 | 99.8 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 23% PEG3350, 0.1M Tris |
