5DBJ
Crystal structure of halogenase PltA
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 | 2015-02-19 |
| Detector | RAYONIX MX300HS |
| Wavelength(s) | 0.9786 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 242.934, 94.981, 102.145 |
| Unit cell angles | 90.00, 91.21, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.750 |
| R-factor | 0.24147 |
| Rwork | 0.239 |
| R-free | 0.29165 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nix |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.230 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.120 | 0.590 |
| Number of reflections | 56814 | |
| <I/σ(I)> | 17.6 | |
| Completeness [%] | 95.1 | |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 0.1 M Bis-Tris propane, pH 7.0, 50 mM magnesium sulfate heptahydrate, 20% w/v PEG 8000 |
