6RQ4
Inhibitor of ERK2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-06 |
Detector | DECTRIS EIGER X 1M |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.853, 70.933, 60.325 |
Unit cell angles | 90.00, 109.92, 90.00 |
Refinement procedure
Resolution | 35.470 - 1.960 |
R-factor | 0.178 |
Rwork | 0.175 |
R-free | 0.23200 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 |
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] | 48.850 | 2.000 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmeas | 0.055 | 2.020 |
Number of reflections | 24063 | 1217 |
<I/σ(I)> | 10.9 | 0.7 |
Completeness [%] | 86.3 | 73.9 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 0.25M (NH4)2SO4 33% MPEG 2000 0.02M Mercaptoethanol 0.1M pH=7.2 HEPES/NaOH |