4HDK
Crystal Structure of ArsAB in Complex with Phloroglucinol
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 21 21 21 |
| Unit cell lengths | 52.778, 77.365, 152.388 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.483 |
| Data reduction software | HKL-3000 |
| 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 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.052 | 0.399 |
| Number of reflections | 100657 | |
| <I/σ(I)> | 20.4 | |
| Completeness [%] | 99.7 | 95.3 |
| Redundancy | 9.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.1 | 298 | 12.5% MEPEG5000, 100 mM MOPS, 20 mM NaCl, 10 mM phloroglucinol, 12% ethylene glycol , pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
