3WR3
Crystal structure of the anaerobic DesB-gallate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-03-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.350, 64.020, 118.483 |
| Unit cell angles | 90.00, 97.14, 90.00 |
Refinement procedure
| Resolution | 19.695 - 2.500 |
| R-factor | 0.2355 |
| Rwork | 0.231 |
| R-free | 0.31300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wku |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.335 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: dev_1539)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 68790 | |
| Completeness [%] | 90.9 | 91.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.75 | 277 | 25% PEG8000, 0.1M sodium acetate, 0.1M HEPES-NaOH, pH 7.75, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
