2GVC
Crystal structure of flavin-containing monooxygenase (FMO)from S.pombe and substrate (methimazole) complex
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 | 2005-07-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.700, 84.450, 113.510 |
| Unit cell angles | 107.73, 90.76, 106.50 |
Refinement procedure
| Resolution | 50.000 - 2.220 |
| R-factor | 0.23 |
| Rwork | 0.230 |
| R-free | 0.26450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vqw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.380 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.067 | 0.321 |
| Number of reflections | 112153 | |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 92.7 | 75.7 |
| Redundancy | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | PEG 3350, Ammonium Acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
