5CHC
Crystal structure of the perchlorate reductase PcrAB - substrate analog SeO3 bound - 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 | 2015-04-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 133.926, 176.022, 193.691 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.520 - 2.380 |
| R-factor | 0.1732 |
| Rwork | 0.170 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ydd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.380 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.520 | 2.420 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.220 | |
| Number of reflections | 183135 | |
| <I/σ(I)> | 13 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.9 | 15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20% PEG6K, 0.1 M Tris pH 8.5 |
