5VSC
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 13
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 | PIXEL |
Collection date | 2017-03-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.440, 78.430, 73.060 |
Unit cell angles | 90.00, 90.96, 90.00 |
Refinement procedure
Resolution | 39.048 - 1.400 |
R-factor | 0.1658 |
Rwork | 0.165 |
R-free | 0.18170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k5k |
RMSD bond length | 0.006 |
RMSD bond angle | 1.056 |
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] | 73.050 | 39.048 | 1.480 |
High resolution limit [Å] | 1.400 | 4.430 | 1.400 |
Rmerge | 0.048 | 0.408 | |
Rmeas | 0.067 | 0.052 | 0.448 |
Rpim | 0.026 | 0.020 | 0.182 |
Total number of observations | 779510 | ||
Number of reflections | 119728 | ||
<I/σ(I)> | 12.4 | 11.6 | 1.8 |
Completeness [%] | 95.9 | 94.9 | 84.7 |
Redundancy | 6.5 | 6.6 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 290 | 20 % PEG3350, 10% glycerol, 0.2 M Sodium bromide |