3EZY
Crystal structure of probable dehydrogenase TM_0414 from Thermotoga maritima
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 | 2008-07-14 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.144, 108.739, 98.496 |
| Unit cell angles | 90.00, 96.26, 90.00 |
Refinement procedure
| Resolution | 42.640 - 2.040 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.22300 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.506 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | HKL2Map |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.040 | 2.050 |
| Rmerge | 0.104 | 0.655 |
| Number of reflections | 91568 | |
| <I/σ(I)> | 17.16 | 2.51 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 45% MPD, Bis-Tris pH 6.5, 0.1M Calcium Chloride, Vapor diffusion, Sitting drop, temperature 298K |
