3NQO
Crystal structure of a MarR family transcriptional regulator (CD1569) from Clostridium difficile 630 at 2.20 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-12 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.739, 72.672, 76.072 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.672 - 2.200 |
R-factor | 0.199 |
Rwork | 0.197 |
R-free | 0.23700 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.314 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.672 | 29.672 | 2.280 |
High resolution limit [Å] | 2.200 | 4.720 | 2.200 |
Rmerge | 0.059 | 0.030 | 0.681 |
Number of reflections | 20101 | 3780 | 3579 |
<I/σ(I)> | 12.61 | 33.7 | 1.8 |
Completeness [%] | 98.8 | 97.8 | 93.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.47 | 277 | 47.0000% polyethylene glycol 200, 0.1M HEPES pH 7.47, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |