3D9F
Nitroalkane oxidase: active site mutant S276A crystallized with 1-nitrohexane
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 108.325, 108.325, 339.432 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.850 - 2.200 |
R-factor | 0.20216 |
Rwork | 0.200 |
R-free | 0.24097 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.349 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 115243 | |
<I/σ(I)> | 26.2 | 1 |
Completeness [%] | 97.5 | 83.2 |
Redundancy | 4.3 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20-30mM PEG 3350, 20-35% glycerol, 0.1M NaCacodylate, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K |