8A82
Fe(II)/aKG-dependent halogenase OocPQ
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 157.160, 59.920, 68.320 |
| Unit cell angles | 90.00, 100.11, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.050 |
| R-factor | 0.1917 |
| Rwork | 0.190 |
| R-free | 0.22710 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.151 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.150 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.044 | 0.560 |
| Number of reflections | 38390 | 5062 |
| <I/σ(I)> | 15 | 2.6 |
| Completeness [%] | 97.1 | 96.4 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 0.1 M Bicine, 20% PEG 6000 |
