2Q08
Crystal structure of the protein BH0493 from Bacillus halodurans C-125 complexed with ZN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 |
Unit cell lengths | 121.274, 120.967, 126.241 |
Unit cell angles | 78.82, 78.67, 80.42 |
Refinement procedure
Resolution | 24.930 - 2.000 |
R-factor | 0.226 |
Rwork | 0.226 |
R-free | 0.23900 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 25.000 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.088 |
Number of reflections | 415887 |
Completeness [%] | 90.1 |
Redundancy | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 45% Polypropylene glycol P400, 0.1M Bis-tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |