2XWZ
STRUCTURE OF THE RECOMBINANT NATIVE NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS complexed with nitrite
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-29 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 173.930, 176.820, 181.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.970 - 2.340 |
| R-factor | 0.17516 |
| Rwork | 0.174 |
| R-free | 0.19875 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oe1 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.594 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.970 | 2.480 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.120 | 0.540 |
| Number of reflections | 232880 | |
| <I/σ(I)> | 10 | 2 |
| Completeness [%] | 99.4 | 96.7 |
| Redundancy | 7 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.25 | 1.8 M LITHIUM SULFATE, 100MM ACETATE BUFFER PH 4.25 |
