5YV8
Structure of CaMKK2 in complex with CKI-002
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 | 2012-12-12 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.493, 76.969, 83.895 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.220 - 1.927 |
| R-factor | 0.1661 |
| Rwork | 0.164 |
| R-free | 0.21260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zv2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.841 |
| 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 | 1.960 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmeas | 0.097 | 1.082 |
| Rpim | 0.035 | 0.398 |
| Number of reflections | 33185 | 1621 |
| <I/σ(I)> | 22.2 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.4 | 7.3 |
| CC(1/2) | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M sodium cacodylate (pH 6.0), 0.2M Sodium acetate, 22% PEG 8000, 0.03M glycyl-glycyl-glycine |
