6X6B
Structure of the sulfate-bound form of ArrX from Chrysiogenes arsenatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.800, 53.200, 89.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.700 - 1.670 |
| Rwork | 0.175 |
| R-free | 0.20430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6esk |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.366 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.700 | 1.710 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 29902 | 2161 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 99.4 | |
| Redundancy | 12.9 | |
| CC(1/2) | 0.997 | 0.524 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289.15 | 0.2 M lithium sulfate, 0.1 M Tris pH 8.5, 25% (w/v) PEG 3350 |
