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 |