6OPI
phosphorylated ERK2 with SCH-CPD336
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-08-25 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.394, 77.640, 126.536 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.060 - 3.000 |
R-factor | 0.18852 |
Rwork | 0.185 |
R-free | 0.26046 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2erk |
RMSD bond length | 0.008 |
RMSD bond angle | 1.741 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.098 | 0.343 |
Rmeas | 0.387 | |
Rpim | 0.177 | |
Number of reflections | 8550 | 1248 |
<I/σ(I)> | 7.8 | 2.2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 20% (w/v) PEG3350, 100 mM Na cacodylate pH 7.2, 600 mM NaCl, 10 mM MnCl2 |