6QAW
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 | 2013-11-01 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.873, 70.475, 60.293 |
Unit cell angles | 90.00, 109.10, 90.00 |
Refinement procedure
Resolution | 29.970 - 1.840 |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.22100 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.090 |
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] | 48.870 | 1.890 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.032 | 0.239 |
Number of reflections | 30456 | 1467 |
<I/σ(I)> | 14.8 | |
Completeness [%] | 90.7 | 53 |
Redundancy | 1.9 |
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 |