4EQZ
Crystal structure of human DOT1L in complex with inhibitor FED2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-11 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97944 |
Spacegroup name | P 65 |
Unit cell lengths | 150.009, 150.009, 53.244 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.150 |
R-factor | 0.2001 |
Rwork | 0.199 |
R-free | 0.22110 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.015 |
RMSD bond angle | 1.387 |
Data scaling software | SCALA (3.3.20) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 132.679 | 49.267 | 2.270 |
High resolution limit [Å] | 2.150 | 6.800 | 2.150 |
Rmerge | 0.058 | 0.815 | |
Total number of observations | 13469 | 59395 | |
Number of reflections | 37551 | ||
<I/σ(I)> | 15.2 | 8.3 | 0.9 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 11.2 | 10.7 | 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, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |