5GUW
Complex of Cytochrome cd1 Nitrite Reductase and Nitric Oxide Reductase in Denitrification of Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-28 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 111.871, 128.606, 127.807 |
| Unit cell angles | 90.00, 106.83, 90.00 |
Refinement procedure
| Resolution | 49.480 - 3.200 |
| R-factor | 0.2119 |
| Rwork | 0.210 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o0r 1nir |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.546 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.10) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 6.890 | 3.200 |
| Rmerge | 0.117 | 0.024 | 0.647 |
| Rmeas | 0.138 | ||
| Rpim | 0.073 | ||
| Total number of observations | 199694 | ||
| Number of reflections | 56669 | ||
| <I/σ(I)> | 5.6 | ||
| Completeness [%] | 98.7 | 97.5 | 98.2 |
| Redundancy | 3.5 | 3.7 | 3.3 |
| CC(1/2) | 0.999 | 0.659 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 0.1M MES, 0.2M CsCl, 12% PEG3350 |
