6CZ9
The arsenate respiratory reductase (Arr) complex from Shewanella sp. ANA-3 bound to arsenite
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 232.512, 86.306, 147.367 |
Unit cell angles | 90.00, 127.72, 90.00 |
Refinement procedure
Resolution | 39.369 - 1.800 |
R-factor | 0.1426 |
Rwork | 0.142 |
R-free | 0.16940 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.370 | 1.864 |
High resolution limit [Å] | 1.800 | 1.800 |
Rpim | 0.032 | 0.313 |
Number of reflections | 209823 | 20962 |
<I/σ(I)> | 17.49 | 2.27 |
Completeness [%] | 98.3 | 98.89 |
Redundancy | 6.9 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 293 | 10 mg/ml protein, 15% PEG 2000 MME, 150 mM KSCN, 50 mM HEPES (adjusted to pH 7.5 with NaOH), microseeded; cryoprotected in 30% PEG 2000 MME, 100 mM KSCN, 1 M sodium formate, 50 mM HEPES (pH 7.5), 5 mM sodium arsenite |