2HTM
Crystal structure of TTHA0676 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 | IMAGE PLATE |
Collection date | 2005-06-29 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 0.97908 |
Spacegroup name | P 1 |
Unit cell lengths | 47.339, 73.511, 100.911 |
Unit cell angles | 68.64, 80.16, 79.09 |
Refinement procedure
Resolution | 19.960 - 2.300 |
R-factor | 0.253 |
Rwork | 0.253 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wv2 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.800 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.066 | 0.372 |
Number of reflections | 53298 | |
<I/σ(I)> | 8.1 | 2.5 |
Completeness [%] | 98.5 | 97.4 |
Redundancy | 2.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 291 | PEG 4000, HEPES, pH 7.5, microbatch, temperature 291K |