5C34
Constitutively active Sin recombinase cataltyic domain - I100T/Q115R
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2013-12-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 74.010, 74.010, 181.950 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.263 - 2.655 |
| R-factor | 0.294 |
| Rwork | 0.293 |
| R-free | 0.30660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pkz |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.765 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX ((phenix.refine: dev_1951)) |
| Refinement software | PHENIX (dev_1951) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.610 |
| High resolution limit [Å] | 2.570 | 6.970 | 2.570 |
| Rmerge | 0.094 | 0.081 | |
| Rmeas | 0.098 | 0.085 | |
| Rpim | 0.028 | 0.023 | 0.500 |
| Total number of observations | 123147 | ||
| Number of reflections | 9886 | ||
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 98.6 | 94.8 | 88.4 |
| Redundancy | 12.5 | 10.3 | 8.6 |
| CC(1/2) | 0.997 | 0.542 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 10mM DTT, 50mM HEPES, pH 7.0, 1.92 M AmSO4, 8% PEG 400, 10% propylene glycol |
