3WRC
Crystal structure of the anaerobic DesB-Protocatechuate (PCA) 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 | 2010-04-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.830, 61.014, 117.545 |
| Unit cell angles | 90.00, 97.84, 90.00 |
Refinement procedure
| Resolution | 54.040 - 2.400 |
| R-factor | 0.22 |
| Rwork | 0.217 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DesB substrate-free form |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.189 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0078) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.100 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.041 | |
| Number of reflections | 31324 | |
| <I/σ(I)> | 20.63 | 4.33 |
| Completeness [%] | 97.7 | 93 |
| Redundancy | 3.86 | 3.51 |
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 |
