2O6M
H98Q mutant of the homing endonuclease I-PPOI complexed with DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Detector technology | CCD |
| Collection date | 2005-03-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 113.850, 113.850, 88.880 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.300 - 2.300 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cyq |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.065 | 0.296 |
| Number of reflections | 29954 | |
| <I/σ(I)> | 16.8 | 2.5 |
| Completeness [%] | 99.6 | 96.6 |
| Redundancy | 5.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 278 | 0.1 M Citrate, pH 5.2-5.8, 20 mM NaCl, 2 mM EDTA, 20-30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Citrate | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | EDTA | ||
| 4 | 1 | 1 | PEG 4000 | ||
| 5 | 1 | 1 | HOH | ||
| 6 | 1 | 2 | Citrate | ||
| 7 | 1 | 2 | NaCl | ||
| 8 | 1 | 2 | PEG 4000 | ||
| 9 | 1 | 2 | HOH |
