3O5A
Crystal Structure of partially reduced Periplasmic Nitrate Reductase from Cupriavidus necator using Ionic Liquids
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.400, 71.410, 128.410 |
| Unit cell angles | 90.00, 121.04, 90.00 |
Refinement procedure
| Resolution | 27.630 - 1.720 |
| R-factor | 0.14473 |
| Rwork | 0.143 |
| R-free | 0.18150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nap |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.310 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.340 | 1.810 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Number of reflections | 97895 | |
| Completeness [%] | 99.6 | 99.6174 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 15% PEG 3350, 0.2M sodium formate, 0.4M [C4MIM]Cl-, pH 7.0, VAPOR DIFFUSION, temperature 293K |
