7L4S
Crystal structure of the OxyR regulatory domain of Shewanella oneidensis MR-1, reduced form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 173 |
Detector technology | PIXEL |
Collection date | 2016-04-27 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | P 32 |
Unit cell lengths | 83.998, 83.998, 185.141 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.000 - 2.400 |
R-factor | 0.1931 |
Rwork | 0.174 |
R-free | 0.22230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i69 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.890 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.104 | 0.509 |
Number of reflections | 57163 | 2815 |
<I/σ(I)> | 7.7 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.1 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293.15 | Drops were made by combining 1 ul of SoOxyR C203S RD with 1 ul of mother liquor containing 4.0 M ammonium acetate and 0.1 M Bis-Tris propane pH 7.0. Rod-shaped crystals appeared within 3 to 4 days. |