5DT2
Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine]
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 | 2014-06-16 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99998 |
| Spacegroup name | P 63 |
| Unit cell lengths | 158.320, 158.320, 74.570 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.700 - 2.300 |
| R-factor | 0.1855 |
| Rwork | 0.184 |
| R-free | 0.21310 |
| 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 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.108 | 1.177 |
| Number of reflections | 47515 | |
| <I/σ(I)> | 15.82 | 2.33 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 10.2 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 1.4M lithium sulfate 0.1M sodium citrate tribasic dihydrate 0.3M ammonium sulfate |
