2P2Y
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 | P 41 21 2 |
| Unit cell lengths | 42.592, 42.592, 156.848 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.830 - 1.950 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.25400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1v7q |
| RMSD bond length | 1.400 |
| RMSD bond angle | 0.007 |
| 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 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.041 | 0.119 |
| Number of reflections | 11290 | |
| <I/σ(I)> | 15.3 | 9.7 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 11 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | oil micro batch | 4.8 | 295 | 2.75M NaCl, 0.1M citrate, pH 4.8, oil micro batch, temperature 295K |
