5NXX
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 | 2011-04-23 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.100, 30.000, 106.100 |
| Unit cell angles | 90.00, 95.60, 90.00 |
Refinement procedure
| Resolution | 19.944 - 2.200 |
| R-factor | 0.1885 |
| Rwork | 0.183 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b4m |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.459 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.084 | 0.344 |
| Number of reflections | 27772 | |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 95.8 | |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | Tris, ammonium acetate, PEG 4000, pH 8.25, VAPOR DIFFUSION, HANGING DROP, temperature 274K |
