4EKG
Crystal Structure of DOT1L in Complex with EPZ003696
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 65 |
| Unit cell lengths | 157.600, 157.600, 49.150 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.700 - 2.800 |
| R-factor | 0.21287 |
| Rwork | 0.210 |
| R-free | 0.26109 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qow |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.291 |
| Data reduction software | MOSFLM |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.700 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.094 | 0.421 |
| Number of reflections | 17520 | |
| <I/σ(I)> | 11.8 | 3.5 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.1 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | 100 mM Sodium Acetate, 1.8-2.0 M Ammonium Sulfate, 5 mM TCEP, pH 5.2, soaking the compound into cross-linked DOT1L-SAM crystal, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
