3FCJ
Nitroalkane oxidase: mutant402N crystallized with nitroethane
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0809 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 108.763, 108.763, 340.897 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.2 |
Rwork | 0.197 |
R-free | 0.25100 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.510 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.999 | |
Number of reflections | 91770 | |
<I/σ(I)> | 2.7 | |
Completeness [%] | 98.9 | |
Redundancy | 3.5 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20-30 mM PEG 3350, 20-35% glycerol, 0.1M NaCacodylate, pH 7.5, vapor diffusion, hanging drop, temperature 298K |