6BRC
Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96861 |
Spacegroup name | P 1 |
Unit cell lengths | 54.800, 54.861, 56.633 |
Unit cell angles | 72.38, 78.35, 89.74 |
Refinement procedure
Resolution | 19.730 - 2.200 |
R-factor | 0.21585 |
Rwork | 0.213 |
R-free | 0.26522 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uyj |
RMSD bond length | 0.012 |
RMSD bond angle | 1.555 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.730 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.078 | 0.326 |
Rmeas | 0.110 | 0.461 |
Rpim | 0.078 | 0.326 |
Number of reflections | 28914 | 2482 |
<I/σ(I)> | 5.8 | |
Completeness [%] | 92.8 | 92 |
Redundancy | 1.8 | 1.8 |
CC(1/2) | 0.995 | 0.493 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 26% PEG 3350, 0.2 M Ammonium Sulphate, 0.1M sbg buffer pH 6.0 |