4AQU
Crystal structure of I-CreI complexed with its target methylated at position plus 2 (in the b strand) in the presence of calcium
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 |
| Collection date | 2012-02-01 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 71.580, 45.355, 172.331 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.801 - 2.300 |
| R-factor | 0.2001 |
| Rwork | 0.196 |
| R-free | 0.24870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g9y |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.227 |
| 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] | 44.800 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.080 | 0.370 |
| Number of reflections | 25711 | |
| <I/σ(I)> | 7.2 | 2.9 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 5.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
