4HDR
Crystal Structure of ArsAB in Complex with 5,6-dimethylbenzimidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-11 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.727, 77.393, 152.269 |
| Unit cell angles | 90.00, 90.17, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.450 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.450 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.044 | 0.229 |
| Number of reflections | 211213 | |
| <I/σ(I)> | 23.2 | |
| Completeness [%] | 97.6 | 95.1 |
| Redundancy | 4.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.1 | 298 | 12.5% MEPEG5K, 100 mM MOPS pH 7.1 , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
