4C77
Phenylacetone monooxygenase: oxidised R337K mutant in complex with APADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14 |
| Synchrotron site | ESRF |
| Beamline | ID14 |
| Temperature [K] | 100 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 107.360, 107.360, 106.790 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.090 - 2.700 |
| R-factor | 0.19629 |
| Rwork | 0.193 |
| R-free | 0.25720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yls |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.703 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.090 | 0.450 |
| Number of reflections | 19765 | |
| <I/σ(I)> | 8.2 | 2.9 |
| Completeness [%] | 99.1 | 99.6 |
| Redundancy | 3.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
