5NXY
Crystal structure of OpuAC from B. subtilis in complex with Arsenobetaine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-13 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.200, 117.400, 68.700 |
| Unit cell angles | 90.00, 104.00, 90.00 |
Refinement procedure
| Resolution | 19.835 - 1.900 |
| R-factor | 0.1963 |
| Rwork | 0.193 |
| R-free | 0.25080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r6u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.114 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 1.900 |
| Number of reflections | 31660 |
| <I/σ(I)> | 17.2 |
| Completeness [%] | 95.1 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 285 | 20% PEG 3350, 0.2M potassium acetate, pH 8.7, VAPOR DIFFUSION, temperature 285K |
