3OQQ
Crystal structure of a Putative lipoprotein (BACOVA_00967) from Bacteroides ovatus at 2.08 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-22 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97903 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.640, 118.580, 49.330 |
Unit cell angles | 90.00, 110.41, 90.00 |
Refinement procedure
Resolution | 25.750 - 2.080 |
R-factor | 0.1633 |
Rwork | 0.161 |
R-free | 0.20390 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (BUSTER 2.8.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.623 | 44.600 | 2.150 |
High resolution limit [Å] | 2.080 | 4.470 | 2.080 |
Rmerge | 0.109 | 0.046 | 0.567 |
Number of reflections | 28606 | 2921 | 2722 |
<I/σ(I)> | 9.31 | 25 | 2.1 |
Completeness [%] | 99.5 | 99.3 | 99.9 |
Redundancy | 3.8 | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.2M Ca(OAc)2, 20.0% PEG-1000, 0.1M Imidazole pH 8.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP |
2 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.2M Ca(OAc)2, 20.0% PEG-1000, 0.1M Imidazole pH 8.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP |