4AAG
Crystal structure of the mutant D75N I-CreI in complex with its wild- type target in presence of Ca 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 BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 47.469, 71.413, 171.214 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.743 - 2.800 |
| R-factor | 0.1811 |
| Rwork | 0.173 |
| R-free | 0.24970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xe0 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.928 |
| 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] | 47.470 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.090 | 0.480 |
| Number of reflections | 15005 | |
| <I/σ(I)> | 5.3 | 1.5 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 30% PEG400, 0.1M HEPES PH 7.5, 0.1M NACL |
