6BZT
Crystal structure of halogenase PltM L111Y mutant 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 | CCD |
| Collection date | 2017-06-16 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.974, 157.462, 213.036 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.100 |
| R-factor | 0.2091 |
| Rwork | 0.207 |
| R-free | 0.24420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bzn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.219 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.197 | |
| Number of reflections | 119974 | 5827 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 94.7 | 92.6 |
| Redundancy | 5.4 | 4.3 |
| CC(1/2) | 0.568 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | 0.1 M Tris pH 8, 0.2 M NaBr, 0.1 M CaCl2 and 14% PEG 8000, cryoprotection in same except for additional 20% PEG 400 and 1 mM FAD overnight |
