3WRA
Crystal structure of the desB-Gallate complex exposed to Aerobic Atomosphere
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 | 2010-04-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.372, 64.857, 117.656 |
| Unit cell angles | 90.00, 96.24, 90.00 |
Refinement procedure
| Resolution | 55.000 - 2.100 |
| R-factor | 0.213 |
| Rwork | 0.210 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DesB substrate-free form |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.368 |
| 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] | 56.700 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.049 | |
| Number of reflections | 49264 | |
| <I/σ(I)> | 22.52 | 4.71 |
| Completeness [%] | 97.7 | 97.8 |
| Redundancy | 4.47 | 4.59 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.75 | 293 | 25% PEG8000, 0.1M SODIUM ACETATE, 0.1M HEPES-NAOH, pH 7.75, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
