5YV9
Structure of CaMKK2 in complex with CKI-009
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-16 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.823, 78.017, 83.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.882 - 2.530 |
R-factor | 0.17 |
Rwork | 0.168 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zv2 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.929 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.570 |
High resolution limit [Å] | 2.530 | 2.530 |
Rmeas | 0.102 | 1.237 |
Rpim | 0.037 | 0.456 |
Number of reflections | 15204 | 757 |
<I/σ(I)> | 23.9 | 2 |
Completeness [%] | 98.8 | 99.7 |
Redundancy | 7.4 | 7.2 |
CC(1/2) | 0.675 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M Na cocodylate pH 6.5, 0.2M Na acetate, 20% PEG 8000, 0.03M Glycyl-glycyl-glycine |