5H13
EED in complex with PRC2 allosteric inhibitor EED396
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 | 2011-03-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97907 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 150.670, 45.970, 51.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.360 - 1.900 |
| R-factor | 0.1976 |
| Rwork | 0.196 |
| R-free | 0.22920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qxv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.363 | 28.363 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.062 | 0.362 | |
| Rmeas | 0.087 | 0.073 | 0.398 |
| Rpim | 0.040 | 0.037 | 0.163 |
| Total number of observations | 148488 | 4073 | 24268 |
| Number of reflections | 29130 | ||
| <I/σ(I)> | 15.9 | 24.7 | 6 |
| Completeness [%] | 99.7 | 96 | 100 |
| Redundancy | 5.1 | 4.1 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 3.3 M Na formate, 0.01 M Yttrium chloride hexahydrate |
