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 |
