2CWZ
Crystal structure of the Thermus thermophilus hypothetical protein TTHA0967, a thioesterase superfamily member
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2005-04-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9792, 0.9797, 0.9706 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 109.501, 114.104, 49.823 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.660 - 1.850 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.23300 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| 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] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.066 | 0.336 |
| Number of reflections | 53148 | |
| Completeness [%] | 97.7 | 98.7 |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PEG 8000, NaHepes, ethylene glycol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
