3EOF
Crystal structure of putative oxidoreductase (YP_213212.1) from Bacteroides fragilis NCTC 9343 at 1.99 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-07 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.370, 80.820, 101.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.760 - 1.990 |
R-factor | 0.171 |
Rwork | 0.169 |
R-free | 0.22400 |
Structure solution method | SAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.660 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.760 | 28.760 | 2.080 |
High resolution limit [Å] | 1.990 | 4.320 | 2.010 |
Rmerge | 0.107 | 0.044 | 0.657 |
Number of reflections | 39369 | 7493 | 6247 |
<I/σ(I)> | 7.12 | 18.5 | 1.6 |
Completeness [%] | 96.8 | 97.4 | 84.7 |
Redundancy | 4.84 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 10.0000% iso-Propanol, 20.0000% PEG-4000, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |