7V0B
Crystal structure of halogenase CtcP from Kitasatospora aureofaciens in complex with FAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.764, 103.576, 179.216 |
| Unit cell angles | 90.00, 95.40, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.150 |
| R-factor | 0.1902 |
| Rwork | 0.188 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bzq |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.234 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.137 | 0.796 |
| Number of reflections | 121382 | 6180 |
| <I/σ(I)> | 15 | |
| Completeness [%] | 96.9 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.982 | 0.685 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 26% PEG 4000, 100 mM Hepes pH 7.5, 200 mM lithium sulfate |
