5H14
EED in complex with an allosteric PRC2 inhibitor EED666
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979467 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 93.758, 178.353, 50.545 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.270 - 1.900 |
| R-factor | 0.1931 |
| Rwork | 0.192 |
| R-free | 0.22250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qxv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.083 | 0.043 | 0.531 |
| Number of reflections | 67346 | ||
| <I/σ(I)> | 13 | ||
| Completeness [%] | 99.5 | 98.9 | 100 |
| Redundancy | 6.7 | 6.8 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M Tris, 16% PEG 8000, 10 mM beta-Nicotinamide mononucleotide |
