3K6H
Crystal structure of a nitroreductase family protein from Agrobacterium tumefaciens str. C58
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97940, 0.97951 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 127.470, 127.470, 150.983 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.700 - 3.050 |
| R-factor | 0.1944 |
| Rwork | 0.192 |
| R-free | 0.24680 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.258 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 3.100 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.111 | 0.814 |
| Number of reflections | 12188 | |
| <I/σ(I)> | 23.4 | 2.86 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.2 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M Bis-tris, 1.5M Ammonium sulphate, 1/80 trpsin, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
