5NQD
Arsenite oxidase AioAB from Rhizobium sp. str. NT-26 mutant AioBF108A
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 | PIXEL |
| Collection date | 2016-04-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 141.408, 148.665, 232.009 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.550 - 2.200 |
| R-factor | 0.1745 |
| Rwork | 0.172 |
| R-free | 0.21670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aay |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.922 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.550 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rpim | 0.098 | 0.524 |
| Number of reflections | 247069 | 12160 |
| <I/σ(I)> | 8.2 | 1.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.8 | 13 |
| CC(1/2) | 0.988 | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 277 | 0.1 M Hepes sodium pH 7-8, 2 % PEG 400, 2 M ammonium sulphate. |
