6DMG
A multiconformer ligand model of EK6 bound to ERK2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-06-29 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.780, 70.700, 60.860 |
Unit cell angles | 90.00, 110.11, 90.00 |
Refinement procedure
Resolution | 30.928 - 2.200 |
R-factor | 0.1889 |
Rwork | 0.186 |
R-free | 0.23610 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.505 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11_2558) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 120.000 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 19388 | |
<I/σ(I)> | 17 | |
Completeness [%] | 97.8 | |
Redundancy | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 | 100 mM MES buffer, pH 6.5, 26-28% PEG-MME 2000, 200 mM ammonium sulfate and 20 mM 2-mercaptoethanol, vapor diffusion, temperature 298K |