8U8J
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-27 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.100, 76.660, 151.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.560 - 2.100 |
| R-factor | 0.1798 |
| Rwork | 0.177 |
| R-free | 0.22660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.859 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rpim | 0.063 | 0.139 |
| Number of reflections | 25654 | 2959 |
| <I/σ(I)> | 6.53 | 2.2 |
| Completeness [%] | 86.7 | 70 |
| Redundancy | 5.65 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 36% PEG 3350, 0.1M Tris pH 9.0 |
