3CK5
Crystal structure of a racemase from Streptomyces coelicolor A3(2) with bound magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.10000 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 177.603, 177.603, 112.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.260 - 2.300 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.26400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2ovl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.080 | 0.350 |
| Number of reflections | 79289 | |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 15.2 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2M Na acetate, 0.2M Mg chloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
