6QAQ
ERK2 mini-fragment binding
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-04 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.857, 69.475, 60.656 |
Unit cell angles | 90.00, 109.57, 90.00 |
Refinement procedure
Resolution | 46.030 - 1.580 |
R-factor | 0.19 |
Rwork | 0.188 |
R-free | 0.22900 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.014 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.860 | 1.610 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmeas | 0.021 | 0.313 |
Number of reflections | 37077 | 119 |
<I/σ(I)> | 24.4 | |
Completeness [%] | 71.2 | 7.5 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | 0.2M (NH4)2SO4 34% MPEG 2000 0.02M Mercaptoethanol 0.1M pH=7.2 HEPES/NaOH |