4HDS
Crystal Structure of ArsAB in Complex with Phenol.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-28 |
| Detector | Bruker Platinum 135 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.547, 77.213, 151.522 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.760 - 2.400 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.725 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.760 | 2.450 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.192 | 0.528 |
| Number of reflections | 24812 | |
| <I/σ(I)> | 26.8 | 8.7 |
| Completeness [%] | 99.5 | 96.8 |
| Redundancy | 8.9 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.1 | 298 | 13% MEPEG5K, 100 mM MOPS pH 7.1 , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
