5MQ6
Polycyclic Ketone Monooxygenase from the Thermophilic Fungus Thermothelomyces thermophila
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 |
| Collection date | 2013-07-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.200, 91.020, 133.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.210 - 2.000 |
| R-factor | 0.15515 |
| Rwork | 0.153 |
| R-free | 0.23105 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ylt |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.129 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.210 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.162 | 1.207 |
| Number of reflections | 49615 | |
| <I/σ(I)> | 8.9 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.2 | 6.2 |
| CC(1/2) | 0.982 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 2.7 M ammonium sulfate, 100 mM MES sodium salt pH 6.5, and 5% v/v PEG400 |
