2XX0
STRUCTURE OF THE N90S-H254F MUTANT OF NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS
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 | 2010-09-07 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | H 3 |
Unit cell lengths | 89.246, 89.246, 288.271 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.000 - 1.460 |
R-factor | 0.12641 |
Rwork | 0.125 |
R-free | 0.15054 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2JL3 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.797 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.000 | 1.510 |
High resolution limit [Å] | 1.460 | 1.460 |
Rmerge | 0.090 | 0.700 |
Number of reflections | 146766 | |
<I/σ(I)> | 13 | 1.7 |
Completeness [%] | 99.1 | 91 |
Redundancy | 4.2 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | ZNSO4, PEG 550 MME, MES PH 6.5 |