1T9J
I-CreI(Q47E)/DNA complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.110, 67.860, 87.650 |
Unit cell angles | 90.00, 91.55, 90.00 |
Refinement procedure
Resolution | 19.880 - 2.000 |
R-factor | 0.238 |
Rwork | 0.238 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g9y |
RMSD bond length | 0.010 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.042 | |
Number of reflections | 31039 | |
Completeness [%] | 90.6 | 57.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | PEG 400, sodium chloride, calcium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG 400 | ||
2 | 1 | 1 | sodium chloride | ||
3 | 1 | 1 | calcium chloride | ||
4 | 1 | 1 | H2O | ||
5 | 1 | 2 | PEG 400 | ||
6 | 1 | 2 | sodium chloride | ||
7 | 1 | 2 | calcium chloride | ||
8 | 1 | 2 | H2O |