3N91
Crystal structure of a STRUCTURAL GENOMICS, UNKNOWN FUNCTION (BACOVA_03430) from Bacteroides ovatus at 2.40 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 | 2010-05-13 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97918,0.97932,0.91837 |
Spacegroup name | P 64 |
Unit cell lengths | 138.074, 138.074, 47.632 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.195 - 2.400 |
R-factor | 0.183 |
Rwork | 0.181 |
R-free | 0.22000 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.613 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.195 | 45.195 | 2.490 |
High resolution limit [Å] | 2.400 | 5.140 | 2.400 |
Rmerge | 0.137 | 0.013 | 0.013 |
Number of reflections | 20195 | 2106 | 2120 |
<I/σ(I)> | 10.75 | 22.2 | 2.2 |
Completeness [%] | 97.9 | 95.5 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.200000000M Ca(OAc)2, 40.000000000% PEG-600, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |