6BZZ
Crystal structure of halogenase PltM in complex with partially bound 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 | 63.815, 157.234, 214.008 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.050 |
| R-factor | 0.22025 |
| Rwork | 0.219 |
| R-free | 0.24549 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bzn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.207 |
| 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 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.175 | 0.800 |
| Number of reflections | 132527 | 6252 |
| <I/σ(I)> | 18.1 | |
| Completeness [%] | 98.2 | 93.9 |
| Redundancy | 7.5 | 7.1 |
| CC(1/2) | 0.786 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | 0.1 M Tris pH 8, 0.2 M NaCl, 0.1 M CaCl2 and 12-17% PEG 8000, soaked in same with 0.5 mM FAD |
