3IKV
Crystal structure of a Rex-family repressor R90D mutant from Thermus aquaticus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.995, 88.222, 99.576 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xcb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.530 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 20539 | |
| <I/σ(I)> | 13.9 | 1.9 |
| Completeness [%] | 98.5 | 92.2 |
| Redundancy | 7.1 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 20-30% PEG 400, 0.1M Na Cacodylate pH 6.0, 5-10% Glycerol, 0.1-0.2M CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
