2CU3
Crystal structure of TT1568 from Thermus thermophilus HB8
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-22 |
Detector | RIGAKU JUPITER |
Wavelength(s) | 1.0000, 0.97915, 0.97952 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 28.915, 72.846, 31.124 |
Unit cell angles | 90.00, 113.77, 90.00 |
Refinement procedure
Resolution | 36.420 - 1.700 |
R-factor | 0.224 |
Rwork | 0.224 |
R-free | 0.24100 |
Structure solution method | MAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.700 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.055 | 0.260 |
Number of reflections | 12628 | |
<I/σ(I)> | 8.9 | 3.5 |
Completeness [%] | 97.1 | 95 |
Redundancy | 5.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG3350, cadmium chloride, magnesium chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |