3IL2
Crystal structure of a Rex-family repressor R90D mutant/DNA 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 |
Collection date | 2006-06-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9196 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 62.950, 62.950, 298.110 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.490 |
R-factor | 0.254 |
Rwork | 0.254 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xcb |
RMSD bond length | 0.014 |
RMSD bond angle | 1.570 |
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 | 2.590 |
High resolution limit [Å] | 2.490 | 2.490 |
Number of reflections | 24453 | |
<I/σ(I)> | 17.9 | 3.2 |
Completeness [%] | 95.2 | 90.1 |
Redundancy | 7 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 20-30% PEG 400, 0.1 M Na Cacodylate, 0.1-0.2M CaCl2, 5-10% Glycerol, pH 6.0, 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 |