5TQR
ctPRC2 in an autoinhibited conformation bound to S-adenosylmethionine
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 | PIXEL |
| Collection date | 2016-07-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 117.454, 138.008, 223.063 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.322 - 2.571 |
| R-factor | 0.1774 |
| Rwork | 0.174 |
| R-free | 0.23280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bjs |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.990 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.610 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.162 | 1.396 |
| Number of reflections | 55206 | |
| <I/σ(I)> | 12.79 | 1.63 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 8.9 | 9 |
| CC(1/2) | 0.890 | 0.552 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 100 mM sodium malonate pH 7.0, 16% PEG 3350, 43 mM 3-cyclohexyl-1-propylphosphocholine |
