7QJG
EED in complex with PRC2 allosteric inhibitor compound 6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 93.460, 178.446, 50.497 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.730 - 1.800 |
| R-factor | 0.1887 |
| Rwork | 0.187 |
| R-free | 0.21850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5h19 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO (0.7.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.730 | 46.730 | 1.852 |
| High resolution limit [Å] | 1.800 | 4.750 | 1.800 |
| Rmerge | 0.127 | 0.046 | 1.516 |
| Rmeas | 0.136 | 0.049 | 1.618 |
| Rpim | 0.048 | 0.018 | 0.557 |
| Total number of observations | 479342 | 33507 | 15628 |
| Number of reflections | 61524 | 4622 | 1974 |
| <I/σ(I)> | 11.16 | 31.89 | 1.31 |
| Completeness [%] | 96.7 | 100 | 86.4 |
| Redundancy | 7.79 | 7.25 | 7.92 |
| CC(1/2) | 0.998 | 0.999 | 0.584 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris pH 8.0, 16% PEG 8000 |
