1NEC
NITROREDUCTASE FROM ENTEROBACTER CLOACAE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Temperature [K] | 295 |
Detector technology | AREA DETECTOR |
Detector | XUONG-HAMLIN MULTIWIRE |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.000, 92.500, 102.500 |
Unit cell angles | 90.00, 93.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.950 |
R-factor | 0.17 |
Rwork | 0.180 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nox |
RMSD bond length | 0.013 |
RMSD bond angle | 0.040 |
Data reduction software | UCSD-system |
Data scaling software | UCSD-system |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | |
High resolution limit [Å] | 1.950 | 2.100 |
Rmerge | 0.062 | |
Number of reflections | 52520 | |
<I/σ(I)> | 1.9 | |
Completeness [%] | 95.0 | |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | pH 8.5 |