2HTM
Crystal structure of TTHA0676 from Thermus thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-06-29 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 0.97908 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.339, 73.511, 100.911 |
| Unit cell angles | 68.64, 80.16, 79.09 |
Refinement procedure
| Resolution | 19.960 - 2.300 |
| R-factor | 0.253 |
| Rwork | 0.253 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wv2 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.066 | 0.372 |
| Number of reflections | 53298 | |
| <I/σ(I)> | 8.1 | 2.5 |
| Completeness [%] | 98.5 | 97.4 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 291 | PEG 4000, HEPES, pH 7.5, microbatch, temperature 291K |
