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 |