5DRT
Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide]
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 | 2012-01-26 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99986 |
| Spacegroup name | P 63 |
| Unit cell lengths | 158.712, 158.712, 73.645 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.820 - 2.690 |
| R-factor | 0.1762 |
| Rwork | 0.175 |
| R-free | 0.19670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nw3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| 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 | 2.760 |
| High resolution limit [Å] | 2.690 | 2.690 |
| Number of reflections | 29583 | |
| <I/σ(I)> | 15.53 | 2.98 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.3 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 1.3M K/Na tartrate 0.1M Hepes pH7.2 |
