2DSJ
Crystal structure of project ID TT0128 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 | CCD |
| Collection date | 2005-05-24 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.828, 76.234, 103.862 |
| Unit cell angles | 90.00, 91.26, 90.00 |
Refinement procedure
| Resolution | 35.780 - 1.800 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1brw |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.082 | 0.282 |
| Number of reflections | 84608 | |
| <I/σ(I)> | 8.9 | 2 |
| Completeness [%] | 99.5 | 99.4 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbach | 7.3 | 301 | 27.5w/w(%) PEG 4000, 0.1M HEPES, 0.01M calcium dichloride, pH 7.3, Microbach, temperature 301K |
