3UBR
Laue structure of Shewanella oneidensis cytochrome-c Nitrite Reductase
Experimental procedure
| Experimental method | LAUE |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 273 |
| Detector technology | CCD |
| Collection date | 2011-06-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.05-1.15 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.500, 95.900, 223.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.560 - 2.590 |
| R-factor | 0.195 |
| Rwork | 0.190 |
| R-free | 0.28462 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rdz |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.531 |
| Data reduction software | Precognition |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.720 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.099 | |
| Number of reflections | 25875 | |
| <I/σ(I)> | 16.7 | |
| Completeness [%] | 100.0 | 40.5 |
| Redundancy | 7.7 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.25 | 296 | 14% PEG 4K, pH 8.25, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
