2ZAF
Mechanistic and Structural Analyses of the Roles of Arg409 and Asp402 in the Reaction of the Flavoprotein Nitroalkane Oxidase
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 | 2006-08-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 108.319, 108.319, 340.012 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.23 |
| Rwork | 0.228 |
| R-free | 0.27700 |
| Starting model (for MR) | 1c0u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.320 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.740 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 81166 | |
| <I/σ(I)> | 17.1 | 1.9 |
| Completeness [%] | 97.1 | 93.2 |
| Redundancy | 5.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 25-30%(W/V) PEG 3350, 35% (V/V) GLYCEROL, 200MM SODIUM CACODYLATE TRIHYDRATE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
