5H24
EED in complex with PRC2 allosteric inhibitor compound 8
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 | 2012-10-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979305 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 93.090, 177.800, 50.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.680 - 2.500 |
| R-factor | 0.191 |
| Rwork | 0.187 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qxv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.677 | 29.677 | 2.640 |
| High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
| Rmerge | 0.087 | 0.555 | |
| Rmeas | 0.183 | 0.102 | 0.648 |
| Rpim | 0.092 | 0.053 | 0.329 |
| Total number of observations | 110255 | 3804 | 14982 |
| Number of reflections | 29712 | ||
| <I/σ(I)> | 6.7 | 11.3 | 2.9 |
| Completeness [%] | 99.1 | 97.9 | 98.6 |
| Redundancy | 3.7 | 3.6 | 3.6 |
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 |
