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 |
