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 |
