3KO2
I-MsoI re-designed for altered DNA cleavage specificity (-7C)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2009-04-30 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.031, 70.006, 72.258 |
| Unit cell angles | 81.66, 70.00, 89.48 |
Refinement procedure
| Resolution | 33.560 - 2.900 |
| R-factor | 0.252 |
| Rwork | 0.248 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m5x |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.936 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.7 W8RSSI) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 33.560 | 33.560 | 3.000 |
| High resolution limit [Å] | 2.900 | 6.240 | 2.900 |
| Rmerge | 0.078 | 0.037 | 0.329 |
| Total number of observations | 7354 | 6614 | |
| Number of reflections | 19127 | ||
| <I/σ(I)> | 10.6 | 22.6 | 3.2 |
| Completeness [%] | 96.9 | 98.3 | 94 |
| Redundancy | 3.7 | 3.75 | 3.58 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 22% PEG 400, 100mM Tris-HCl, 5mM CaCl2, 5mM NaCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 400 | ||
| 2 | 1 | 1 | Tris-HCl | ||
| 3 | 1 | 1 | CaCl2 | ||
| 4 | 1 | 1 | NaCl | ||
| 5 | 1 | 2 | PEG 400 | ||
| 6 | 1 | 2 | Tris-HCl | ||
| 7 | 1 | 2 | CaCl2 | ||
| 8 | 1 | 2 | NaCl |
