4D03
Structure of the Cys65Asp mutant of phenylacetone monooxygenase: oxidised state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 107.739, 107.739, 106.804 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 93.300 - 1.810 |
| R-factor | 0.19493 |
| Rwork | 0.193 |
| R-free | 0.23021 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yls |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.006 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.750 |
| Number of reflections | 65099 | |
| <I/σ(I)> | 13.9 | 2.4 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.5 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
