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 |