5H25
EED in complex with PRC2 allosteric inhibitor compound 11
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 | 2013-01-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.978524 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 94.747, 179.379, 50.396 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.940 - 2.880 |
| R-factor | 0.189 |
| Rwork | 0.184 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qxv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
| High resolution limit [Å] | 2.880 | 6.240 | 2.880 |
| Rmerge | 0.110 | 0.049 | 0.485 |
| Total number of observations | 102204 | ||
| Number of reflections | 19963 | ||
| <I/σ(I)> | 6.9 | ||
| Completeness [%] | 99.4 | 97.1 | 99.8 |
| Redundancy | 5.1 | 5 | 5.2 |
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 |
