5DTR
Crystal structure of Dot1L in complex with inhibitor CPD5 [N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine]
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 | 2012-05-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99985 |
Spacegroup name | P 63 |
Unit cell lengths | 158.435, 158.435, 73.955 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.460 - 2.340 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.21040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nw3 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.020 |
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 | 2.400 |
High resolution limit [Å] | 2.340 | 2.340 |
Rmerge | 0.087 | 0.925 |
Number of reflections | 44838 | |
<I/σ(I)> | 21.31 | 3.25 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.2 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 1.2M K/Na tartrate, 0.1M Hepes pH6.6 |