3E4O
Crystal structure of succinate bound state DctB
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-24 |
| Detector | MAR345DTB |
| Wavelength(s) | 0.9760, 0.9799, 0.9796 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.892, 66.594, 93.602 |
| Unit cell angles | 90.00, 94.71, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.25200 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.509 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.091 | 0.250 |
| Number of reflections | 27795 | |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 7.6 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 289 | 0.6M SODIUM SUCCINATE PH 6.0, 3% TRIFLUROETHANOL, VAPOR DIFFUSION, temperature 289K |
