5DSX
Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one]
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99988 |
| Spacegroup name | P 63 |
| Unit cell lengths | 158.140, 158.140, 73.980 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.650 - 2.410 |
| R-factor | 0.1734 |
| Rwork | 0.172 |
| R-free | 0.20150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nw3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.470 |
| High resolution limit [Å] | 2.410 | 2.410 |
| Rmerge | 0.082 | 0.867 |
| Number of reflections | 40943 | |
| <I/σ(I)> | 20.91 | 3.1 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 10.2 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 1.4M K/Na tartrate tetrahydrate, 0.1M Hepes pH6.8 |
