7AQ4
Pseudomonas stutzeri nitrous oxide reductase mutant, H583E
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-24 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.370000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.362, 76.725, 109.088 |
Unit cell angles | 90.00, 93.24, 90.00 |
Refinement procedure
Resolution | 59.995 - 1.708 |
R-factor | 0.1561 |
Rwork | 0.153 |
R-free | 0.20410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rkz |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.251 | 1.882 |
High resolution limit [Å] | 1.708 | 1.710 |
Number of reflections | 91568 | 4579 |
<I/σ(I)> | 13.3 | |
Completeness [%] | 94.9 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.645 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M bis-tris propane buffer at pH 8.5, 0.1 M sodium formate, 0.1 M sodium chloride, and 25% (w/v) of a medium molecular weight (MMW) polyethylene glycol mixture (PEG 2K, 3350, 4K and 5K MME) |