3ML1
Crystal Structure of the Periplasmic Nitrate Reductase from Cupriavidus necator
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-15 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.202, 82.384, 96.837 |
| Unit cell angles | 90.00, 100.72, 90.00 |
Refinement procedure
| Resolution | 35.480 - 1.600 |
| R-factor | 0.15875 |
| Rwork | 0.157 |
| R-free | 0.19031 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nap |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.266 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.19) |
| Phasing software | PHASER (1.3.1) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.346 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.085 | 0.537 |
| Total number of observations | 92176 | |
| Number of reflections | 170014 | |
| <I/σ(I)> | 8.5 | 1.3 |
| Completeness [%] | 97.2 | 95.2 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1M bis-Tris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
