1KQ3
CRYSTAL STRUCTURE OF A GLYCEROL DEHYDROGENASE (TM0423) FROM THERMOTOGA MARITIMA AT 1.5 A RESOLUTION
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-29 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 105.730, 105.730, 135.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.173 |
| Rwork | 0.173 |
| R-free | 0.18900 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.180 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 61417 | |
| <I/σ(I)> | 9.1 | 2.8 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6.2 | 293 | 35% MPD, 0.1M Na/k phosphate, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.20 |
