2I7H
Crystal Structure of the Nitroreductase-like Family Protein from Bacillus cereus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-13 |
| Detector | SBC-3 |
| Wavelength(s) | 0.97924 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 242.719, 87.217, 81.189 |
| Unit cell angles | 90.00, 103.03, 90.00 |
Refinement procedure
| Resolution | 40.910 - 2.300 |
| R-factor | 0.17581 |
| Rwork | 0.172 |
| R-free | 0.21254 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.502 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.910 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.119 | 0.561 |
| Number of reflections | 74322 | |
| <I/σ(I)> | 5.9 | 2.66 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 7.2 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 0.1M Tris-HCl pH 8.0, 0.2M Ammonium sulfate, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
