3C0X
I-SceI in complex with a top nicked DNA substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 80.680, 80.680, 128.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.080 - 2.300 |
| R-factor | 0.255 |
| Rwork | 0.255 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r7m |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.320 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| 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 | 0.052 | 0.436 |
| Number of reflections | 19007 | |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 277 | 22-26% 2-methyl-2,4-pentanediol (MPD) (v/v), 20 mM CaCl2, 1 mM dithiothreitol, 100 mM sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 4.60 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | dithiothreitol | ||
| 2 | 1 | 1 | CaCl2 | ||
| 3 | 1 | 2 | 2-methyl-2,4-pentanediol | ||
| 4 | 1 | 2 | CaCl2 | ||
| 5 | 1 | 2 | dithiothreitol | ||
| 6 | 1 | 2 | sodium acetate |
