2P6M
Crystal structure of TTHB049 from Thermus thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-27 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 85.145, 92.101, 109.793 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 1.900 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.21100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1v37 |
| RMSD bond length | 1.400 |
| RMSD bond angle | 0.009 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.565 |
| Number of reflections | 34377 | |
| <I/σ(I)> | 7.2 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.2 | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | oil-micro batch | 8.3 | 295 | 2.75M NaCl, 0.1M Tris-HCl, pH 8.3, oil-micro batch, temperature 295K |
