1T9I
I-CreI(D20N)/DNA complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.800, 67.310, 89.350 |
Unit cell angles | 90.00, 92.40, 90.00 |
Refinement procedure
Resolution | 19.970 - 1.600 |
R-factor | 0.194 |
Rwork | 0.194 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g9y |
RMSD bond length | 0.011 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.035 | |
Number of reflections | 67746 | |
Completeness [%] | 98.9 | 0.084 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | PEG400, 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 |