4HRA
Crystal Structure of DOT1L in Complex with EPZ-5676
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-10-22 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.07812 |
| Spacegroup name | P 65 |
| Unit cell lengths | 154.430, 154.430, 47.520 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.470 - 3.150 |
| R-factor | 0.18658 |
| Rwork | 0.183 |
| R-free | 0.25570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qow |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.044 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.470 | 3.230 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.077 | 0.763 |
| Number of reflections | 11490 | |
| <I/σ(I)> | 17.4 | 2.8 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 9 | 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, SOAKING THE COMPOUND INTO CROSS-LINKED DOT1L-SAM CRYSTAL, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
