4FUX
Crystal Structure of the ERK2 complexed with E75
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.703, 70.283, 60.372 |
| Unit cell angles | 90.00, 109.09, 90.00 |
Refinement procedure
| Resolution | 23.330 - 2.200 |
| R-factor | 0.1893 |
| Rwork | 0.187 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data scaling software | SCALEPACK |
| Refinement software | BUSTER-TNT (BUSTER 2.11.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.000 | 55.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 5.040 | 2.200 |
| Rmerge | 0.033 | 0.029 | 0.088 |
| Number of reflections | 18031 | ||
| <I/σ(I)> | 23.8 | ||
| Completeness [%] | 92.1 | 82 | 92.8 |
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 |
