3OOR
I-SceI mutant (K86R/G100T)complexed with C/G+4 DNA substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | .979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.701, 50.538, 62.931 |
| Unit cell angles | 90.00, 108.46, 90.00 |
Refinement procedure
| Resolution | 31.720 - 2.500 |
| R-factor | 0.2382 |
| Rwork | 0.235 |
| R-free | 0.28360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r7m |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.011 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.057 | 0.036 | 0.401 |
| Number of reflections | 13729 | ||
| <I/σ(I)> | 15.3 | ||
| Completeness [%] | 99.4 | 95.4 | 98.8 |
| Redundancy | 7.4 | 6.5 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 277.15 | PEG400,CaCl2,NaOAc,DTT, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
