2RGJ
Crystal structure of flavin-containing monooxygenase PhzS
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 | 2007-06-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 63.500, 64.860, 182.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.19706 |
| Rwork | 0.194 |
| R-free | 0.26177 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.088 | 0.272 |
| Number of reflections | 14742 | |
| <I/σ(I)> | 23.2 | 5.2 |
| Completeness [%] | 96.7 | 80.3 |
| Redundancy | 12.8 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | batch under oil | 298 | 19% PEG400, 0.1M ammonium nitrate, 0.1M sodium acetate, batch under oil, temperature 298K |
