3MKC
Crystal structure of a putative racemase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9788 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 134.838, 134.838, 94.323 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.770 |
| R-factor | 0.237 |
| Rwork | 0.216 |
| R-free | 0.24100 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.083 | 0.450 |
| Number of reflections | 42424 | |
| <I/σ(I)> | 15.9 | 8.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 29 | 25.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 2M Ammonium Sulfate; 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
