4ER0
Crystal Structure of human DOT1L in complex with inhibitor FED1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97907 |
Spacegroup name | P 65 |
Unit cell lengths | 150.590, 150.590, 52.878 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.000 - 2.500 |
R-factor | 0.2385 |
Rwork | 0.237 |
R-free | 0.27180 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.017 |
RMSD bond angle | 1.020 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.070 | 0.027 | 0.825 |
Number of reflections | 24065 | ||
<I/σ(I)> | 7.2 | 2.35 | |
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 11.1 | 10.3 | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 3.5 M NaFormate, 0.1 M NaAcet, 0.5 mM inhibitor in H2O, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |