2ISM
Crystal structure of the putative oxidoreductase (glucose dehydrogenase) (TTHA0570) from thermus theromophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.898, 132.964, 60.780 |
| Unit cell angles | 90.00, 97.18, 90.00 |
Refinement procedure
| Resolution | 36.610 - 1.900 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g8s |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.062 | 0.309 |
| Number of reflections | 45627 | |
| Completeness [%] | 100.0 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 12% PEG6000, 0.1M NaCl, 0.1M Na Acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
