2PA0
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 | 2006-12-21 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 83.835, 91.808, 112.143 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.630 - 2.300 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.22500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1v37 |
| 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 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.188 | 0.616 |
| Number of reflections | 19605 | |
| <I/σ(I)> | 4.6 | 3.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 295 | 2.75M NaCl, 0.1M Tris-HCl, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
