3R2Y
MK2 kinase bound to Compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-08-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | F 41 3 2 |
| Unit cell lengths | 253.258, 253.258, 253.258 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.840 - 3.000 |
| R-factor | 0.2939 |
| Rwork | 0.289 |
| R-free | 0.33370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.608 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.840 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.613 | |
| Number of reflections | 14405 | |
| <I/σ(I)> | 7 | 1.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.45 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 1.6 M Sodium Malonate, pH 5.0, vapor diffusion, hanging drop, temperature 293K |
