5DTQ
Crystal structure of Dot1L in complex with inhibitor CPD3 [(2,6-dichlorophenyl)(quinolin-6-yl)methanone]
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 | 2012-06-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99996 |
| Spacegroup name | P 63 |
| Unit cell lengths | 158.651, 158.651, 74.179 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.800 - 2.610 |
| R-factor | 0.1748 |
| Rwork | 0.173 |
| R-free | 0.20790 |
| 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 | 2.680 |
| High resolution limit [Å] | 2.610 | 2.610 |
| Rmerge | 0.155 | 1.287 |
| Number of reflections | 32584 | |
| <I/σ(I)> | 16.07 | 2.55 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.1 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 1.6M K/Na tartrate, 0.1M Hepes pH6.6 |
