4YDD
Crystal structure of the perchlorate reductase PcrAB 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 | 2014-08-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1158 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 132.827, 175.501, 193.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.350 - 1.860 |
| R-factor | 0.2026 |
| Rwork | 0.201 |
| R-free | 0.23660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ivf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.436 |
| Data reduction software | XDS |
| Data scaling software | Aimless (2.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_2299) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.350 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.178 | 0.162 |
| Number of reflections | 372024 | |
| <I/σ(I)> | 13.2 | 2.1 |
| Completeness [%] | 99.1 | 97.9 |
| Redundancy | 19.6 | 20.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20%PEG6000 and 0.1M Tris, pH 8.25 |
