1WS9
Crystal structure of project ID TT0172 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 | 2004-07-09 |
| Detector | RIGAKU JUPITER |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 41 |
| Unit cell lengths | 122.401, 122.401, 106.112 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.710 - 2.300 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jqi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.300 |
| 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 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.068 | 0.226 |
| Number of reflections | 34652 | |
| <I/σ(I)> | 11.3 | 3.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.8 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbach | 5.6 | 295 | 44 v/v(%) MPD, 0.1M Acetate, 10 v/v(%) Dioxane, pH 5.6, Microbach, temperature 295K |
