6BOZ
Structure of human SETD8 in complex with covalent inhibitor MS4138
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 31.560, 68.060, 125.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.950 - 2.400 |
R-factor | 0.182 |
Rwork | 0.179 |
R-free | 0.24190 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.916 |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 62.950 | 68.060 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.085 | 0.361 | |
Rmeas | 0.129 | 0.102 | 0.437 |
Rpim | 0.066 | 0.055 | 0.242 |
Total number of observations | 39948 | ||
Number of reflections | 11209 | 426 | 1550 |
<I/σ(I)> | 8.2 | 5.3 | 1.8 |
Completeness [%] | 99.5 | 99.6 | 97.8 |
Redundancy | 3.6 | 3.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 290 | 20% (w/v) PEG 6,000, 0.2 M MgCl, 0.1 M HEPES (pH 7.0) |