6F1Q
Crystal structure of three-domain heme-Cu nitrite reductase from Ralstonia pickettii in I213 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 180.853, 180.853, 180.853 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.13547 |
| Rwork | 0.134 |
| R-free | 0.16166 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ziy |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.670 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.101 | 0.730 |
| Number of reflections | 43479 | 4312 |
| <I/σ(I)> | 13.6 | 2.2 |
| Completeness [%] | 1.0 | 99.2 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 22% PEG3350, 100mM sodium citrate, Bis-Tris propan pH6.5 |
