3HNP
Crystal Structure of an Oxidoreductase from Bacillus cereus. Northeast Structural Genomics Consortium target id BcR251
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 | 2009-02-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 91.661, 149.510, 95.767 |
Unit cell angles | 90.00, 92.13, 90.00 |
Refinement procedure
Resolution | 43.790 - 2.600 |
R-factor | 0.239 |
Rwork | 0.239 |
R-free | 0.28200 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.073 | 0.450 |
Number of reflections | 157443 | |
<I/σ(I)> | 23.9 | |
Completeness [%] | 99.0 | 100 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG3350, 100 mM TrisHCL, MgCl2, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |