4QVU
Crystal structure of a DUF4931 family protein (BCE0241) from Bacillus cereus ATCC 10987 at 2.65 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9116,0.9794 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 102.049, 102.049, 95.481 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.944 - 2.650 |
R-factor | 0.21 |
Rwork | 0.207 |
R-free | 0.26070 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.100 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.944 | 29.944 | 2.720 |
High resolution limit [Å] | 2.650 | 11.850 | 2.650 |
Rmerge | 0.013 | ||
Total number of observations | 1161 | 8051 | |
Number of reflections | 8992 | ||
<I/σ(I)> | 16.2 | 9.1 | 2.3 |
Completeness [%] | 99.9 | 93.8 | 100 |
Redundancy | 11.6 | 9.2 | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.47 | 293 | 53.00% polyethylene glycol 200, 0.1M HEPES pH 7.47, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |