3WRB
Crystal structure of the anaerobic H124F DESb-Gallate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-10-10 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.349, 65.519, 117.875 |
| Unit cell angles | 90.00, 96.93, 90.00 |
Refinement procedure
| Resolution | 58.000 - 2.100 |
| R-factor | 0.195 |
| Rwork | 0.192 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DesB substrate-free form |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.210 |
| 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] | 58.500 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.070 | |
| Number of reflections | 50339 | |
| <I/σ(I)> | 15.17 | 6.94 |
| Completeness [%] | 98.8 | 98.7 |
| Redundancy | 4.4 | 4.16 |
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 |
