1W4X
Phenylacetone Monooxygenase, a Baeyer-Villiger Monooxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Collection date | 2003-11-14 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 86.472, 115.652, 165.254 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.700 |
| R-factor | 0.213 |
| Rwork | 0.212 |
| R-free | 0.24300 * |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.250 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.100 | 0.390 |
| Number of reflections | 94458 | |
| <I/σ(I)> | 8.5 | 3.1 |
| Completeness [%] | 96.2 * | 80.3 * |
| Redundancy | 3.7 * | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 293 * | pH 7.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 18 (mg/ml) | |
| 2 | 1 | drop | FAD | 5 (mM) | |
| 3 | 1 | drop | sodium phosphate | 50 (mM) | pH7.0 |
| 4 | 1 | reservoir | ammonium sulfate | 1.5 (M) | |
| 5 | 1 | reservoir | 0.5 (M) |
