2P9Y
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 | 2006-12-26 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 84.553, 92.277, 110.603 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.980 - 1.850 |
R-factor | 0.222 |
Rwork | 0.222 |
R-free | 0.24400 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1v37 |
RMSD bond length | 1.400 |
RMSD bond angle | 0.008 |
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 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.062 | 0.437 |
Number of reflections | 37215 | |
<I/σ(I)> | 11 | 3.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.7 | 5.7 |
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 |