5U8A
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.768, 85.142, 91.443 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.310 - 1.450 |
| R-factor | 0.15203 |
| Rwork | 0.151 |
| R-free | 0.17318 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k0m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.475 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.443 | 1.457 |
| High resolution limit [Å] | 1.450 | 1.452 |
| Rmerge | 0.071 | 0.906 |
| Number of reflections | 80241 | |
| <I/σ(I)> | 16.8 | 2.1 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 6.5 | 6.7 |
| CC(1/2) | 0.999 | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 290 | 3.08M Sodium Formate, 20% Glycerol, 0.1M Tris pH8.5 |
