3G14
Crystal structure of nitroreductase family protein (YP_877874.1) from Clostridium novyi NT at 1.75 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-15 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837, 0.97876, 0.97826 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.350, 44.950, 66.960 |
| Unit cell angles | 90.00, 93.72, 90.00 |
Refinement procedure
| Resolution | 28.194 - 1.750 |
| R-factor | 0.176 |
| Rwork | 0.173 |
| R-free | 0.21900 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.462 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.194 | 28.194 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.760 | 1.750 |
| Rmerge | 0.056 | 0.026 | 0.499 |
| Number of reflections | 34941 | 6625 | 5956 |
| <I/σ(I)> | 22.2 | 1.4 | |
| Completeness [%] | 97.2 | 95.4 | 90.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.29 | 277 | NANODROP, 0.160M Ammonium sulfate, 22.3% PEG 4000, 20.0% Glycerol, 0.1M Sodium acetate pH 4.29, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
