7AUV
The structure of ERK2 in complex with dual inhibitor ASTX029
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-10 |
Detector | DECTRIS EIGER R 1M |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.001, 71.049, 60.920 |
Unit cell angles | 90.00, 110.50, 90.00 |
Refinement procedure
Resolution | 30.160 - 1.760 |
R-factor | 0.17 |
Rwork | 0.167 |
R-free | 0.22900 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.490 | 1.770 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmeas | 0.063 | 0.800 |
Number of reflections | 32724 | 234 |
<I/σ(I)> | 12.3 | |
Completeness [%] | 84.9 | 80.9 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 291 | 0.2M (NH4)2SO4 32% MPEG 2000 .02M Mercaptoethanol .1M pH=7.2 HEPES/NaOH |