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 |