5VT1
Crystal Structure of the Human CAMKK2B bound to a thiadiazinone benzamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-25 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 61 |
| Unit cell lengths | 100.454, 100.454, 69.674 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.960 - 1.900 |
| R-factor | 0.162 |
| Rwork | 0.161 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zv2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.960 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.140 | 0.575 |
| Rpim | 0.066 | 0.275 |
| Number of reflections | 31197 | 2111 |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 98.7 | 99.7 |
| Redundancy | 5.1 | 5.2 |
| CC(1/2) | 0.988 | 0.836 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 24% PEG 8000, 0.1M magnesium acetate, 0.1M CHC buffer (citric acid, ches, hepes). |
