6GEM
FeII-Dependent Halogenase Wi-WelO15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.8726 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 195.830, 155.451, 133.234 |
| Unit cell angles | 90.00, 126.91, 90.00 |
Refinement procedure
| Resolution | 49.193 - 3.462 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.24180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5iqs |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.679 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.480 | 3.580 |
| High resolution limit [Å] | 3.460 | 3.460 |
| Number of reflections | 41091 | |
| <I/σ(I)> | 8 | |
| Completeness [%] | 98.2 | |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M KOAc 2.2 M AmSO4 |
