2B67
Crystal structure of the Nitroreductase Family Protein from Streptococcus pneumoniae TIGR4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.400, 80.278, 103.015 |
| Unit cell angles | 90.00, 100.61, 90.00 |
Refinement procedure
| Resolution | 39.020 - 2.050 |
| R-factor | 0.18378 |
| Rwork | 0.177 |
| R-free | 0.24710 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.395 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.020 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.109 | 0.431 |
| Number of reflections | 54339 | |
| <I/σ(I)> | 5.5 | 2.1 |
| Completeness [%] | 97.8 | 91.2 |
| Redundancy | 7.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | PEG 8000, MES, Calcium Acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
