3SR4
Crystal Structure of Human DOT1L in Complex with a Selective Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2011-06-07 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.54178 |
Spacegroup name | P 65 |
Unit cell lengths | 152.753, 152.753, 50.889 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.550 - 2.500 |
R-factor | 0.234 |
Rwork | 0.234 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nw3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 23040 | |
<I/σ(I)> | 18 | 3 |
Completeness [%] | 96.9 | 100 |
Redundancy | 12.9 | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 295 | PROTEIN SOLUTION: 20 mM Tris, pH 8.0, 200 mM NaCl, 1 mM EDTA, 10% glycerol, 3 mM inhibitor, 3 mM TCEP. RESERVOIR SOLUTION: 0.1 M HAC, pH 5.3, 1.25-1.7 M (NH4)2SO4. , VAPOR DIFFUSION, HANGING DROP, temperature 295K |