6XAD
Structure of the formate-bound form of ArrX from Chrysiogenes arsenatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0781 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.357, 53.071, 54.831 |
| Unit cell angles | 90.00, 107.96, 90.00 |
Refinement procedure
| Resolution | 44.100 - 1.893 |
| Rwork | 0.181 |
| R-free | 0.22190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6x6b |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.308 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.100 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Number of reflections | 20100 | 1215 |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 98.8 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.995 | 0.514 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.15 M magnesium formate dihydrate, 18% (w/v) PEG 3350 |
