3WR9
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 | C 2 2 21 |
| Unit cell lengths | 123.523, 159.182, 104.498 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.170 - 2.400 |
| R-factor | 0.188 |
| Rwork | 0.185 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DesB substrate-free form |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.293 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.200 | 2.520 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.122 | |
| Number of reflections | 40553 | |
| <I/σ(I)> | 16.58 | 4.28 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.77 | 9.02 |
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 |
