4OSE
X-ray Crystal Structure of a Putative Hydrolase from Rickettsia typhi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-03-28 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.9787 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 154.920, 49.060, 87.290 |
Unit cell angles | 90.00, 94.77, 90.00 |
Refinement procedure
Resolution | 43.494 - 2.400 |
R-factor | 0.2029 |
Rwork | 0.201 |
R-free | 0.23480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bwx |
RMSD bond length | 0.002 |
RMSD bond angle | 0.656 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | BALBES |
Refinement software | PHENIX (dev_1615) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.460 | |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.061 | 0.021 | 0.518 |
Number of reflections | 25945 | 318 | 1916 |
<I/σ(I)> | 16.74 | 50.41 | 2.53 |
Completeness [%] | 99.9 | 95.5 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | MCSG1 condition E3: 30% PEG 550 MME, 0.05 M Magnesium Chloride, 0.1 M HEPES pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 289K |