4AAD
Crystal structure of the mutant D75N I-CreI in complex with its wild- type target in absence of metal ions at the active site (The four central bases, 2NN region, are composed by GTAC from 5' to 3')
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS |
| Synchrotron site | SLS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 49.406, 84.668, 159.959 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.206 - 3.100 |
| R-factor | 0.2126 |
| Rwork | 0.210 |
| R-free | 0.23780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xe0 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.036 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.440 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.050 | 0.310 |
| Number of reflections | 12755 | |
| <I/σ(I)> | 7.9 | 2.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 20% PEG300, 0.1M TRIS PH 8.5, 5% PEG8000, 10% GLYCEROL |
