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 |
