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 |
