4Z1Z
Crystal Structure of Meganuclease I-SmaMI Bound to Uncleaveable DNA with a TTCT Central Four
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 |
| Collection date | 2015-02-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.55 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.869, 179.282, 65.401 |
| Unit cell angles | 90.00, 95.48, 90.00 |
Refinement procedure
| Resolution | 89.640 - 3.200 |
| R-factor | 0.2401 |
| Rwork | 0.238 |
| R-free | 0.28610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lox |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.407 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 6.670 | 3.100 |
| Rmerge | 0.221 | 0.098 | 0.719 |
| Rmeas | 0.229 | 0.101 | 0.755 |
| Rpim | 0.061 | 0.027 | 0.220 |
| Total number of observations | 234481 | ||
| Number of reflections | 16992 | ||
| <I/σ(I)> | 5.1 | ||
| Completeness [%] | 98.5 | 99.2 | 95.5 |
| Redundancy | 13.8 | 14.8 | 10.9 |
| CC(1/2) | 1.000 | 0.872 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 25% PEG 3550, 5mM CaCl2 |
