3IKT
Crystal structure of a Rex-family repressor/DNA/NAD+ complex 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 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 63.150, 63.150, 299.260 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.260 |
| R-factor | 0.234 |
| Rwork | 0.234 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xcb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.480 |
| 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 | 2.370 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Number of reflections | 40822 | |
| <I/σ(I)> | 21.3 | 7.2 |
| Completeness [%] | 97.6 | 99.8 |
| Redundancy | 10.7 | 11.5 |
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, 0.2M CaCl2, 5-10% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 400 | ||
| 2 | 1 | 1 | Na Cacodylate | ||
| 3 | 1 | 1 | CaCl2 | ||
| 4 | 1 | 1 | Glycerol | ||
| 5 | 1 | 2 | PEG 400 | ||
| 6 | 1 | 2 | Na Cacodylate | ||
| 7 | 1 | 2 | CaCl2 | ||
| 8 | 1 | 2 | Glycerol |
