2P79
Crystal structure of TTHB049 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 | CCD |
Collection date | 2006-11-20 |
Detector | RIGAKU JUPITER |
Wavelength(s) | 1.0000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 84.948, 91.886, 110.967 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.530 - 1.750 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.23200 |
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] | 30.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.073 | 0.341 |
Number of reflections | 44097 | |
<I/σ(I)> | 7.5 | 3.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.8 | 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 |