2OJI
Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-04-26 |
Detector | RIGAKU |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.557, 69.675, 59.986 |
Unit cell angles | 90.00, 109.36, 90.00 |
Refinement procedure
Resolution | 19.920 - 2.600 |
R-factor | 0.215 |
Rwork | 0.209 |
R-free | 0.26700 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.003 |
RMSD bond angle | 1.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNX |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.000 | 60.000 | 2.680 |
High resolution limit [Å] | 2.600 | 5.950 | 2.600 |
Rmerge | 0.062 | 0.035 | 0.242 |
Number of reflections | 11187 | ||
<I/σ(I)> | 13 | ||
Completeness [%] | 94.5 | 89.7 | 85.2 |
Redundancy | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | protein: 14 mg/ml, 20 mM Tris, pH 7.0, 5 mM DTT, 200 mM NaCl. precipitant: 100 mM HEPES, pH 7.2, 28-30% PEG-MME-2000, 200 mM Ammonium Sulfate, 20 mM 2-ME, VAPOR DIFFUSION, HANGING DROP, temperature 298K |