3B02
Crystal structure of TTHB099, a transcriptional regulator CRP family from Thermus thermophilus HB8
Replaces: 2ZDBExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-13 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 147.626, 147.626, 147.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.680 - 1.920 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zcw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.055 | 0.248 |
| Number of reflections | 21153 | |
| <I/σ(I)> | 88.3 | 20.6 |
| Completeness [%] | 94.2 | |
| Redundancy | 50.6 | 46 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 18% Polyacrylic Acid 5100, 0.1M HEPES, 0.1M Magnesium Chloride, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
