3R30
MK2 kinase bound to Compound 2
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 | 2006-08-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 253.297, 253.297, 253.297 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.250 - 3.200 |
R-factor | 0.284 |
Rwork | 0.279 |
R-free | 0.33200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.537 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.850 | 3.310 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.228 | 0.756 |
Number of reflections | 20639 | |
<I/σ(I)> | 2.4 | |
Completeness [%] | 94.1 | 94.7 |
Redundancy | 8.43 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 1.8 M Sodium Malonate, pH 5.0, vapor diffusion, hanging drop, temperature 293K |