6VZK
Crystal structure of human CaMKII-alpha (CAMK2A)kinase domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-09 |
Detector | DECTRIS PILATUS3 R 200K-A |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.147, 56.928, 97.461 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.200 - 2.550 |
R-factor | 0.2142 |
Rwork | 0.210 |
R-free | 0.29440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3soa |
RMSD bond length | 0.008 |
RMSD bond angle | 1.589 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
High resolution limit [Å] | 2.550 | 7.320 | 2.700 |
Rmerge | 0.195 | 0.103 | |
Rmeas | 0.215 | 0.117 | |
Rpim | 0.093 | 0.054 | 0.489 |
Number of reflections | 8711 | 445 | 379 |
<I/σ(I)> | 3.5 | ||
Completeness [%] | 99.9 | 98.2 | 100 |
Redundancy | 5.5 | 4.3 | 5.2 |
CC(1/2) | 0.967 | 0.864 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | PEG 6000, 50 mM HEPES, 3-Aminobenzene-sulfonic acid, 5-Sulfosalicylic acid dihydrate, p-Coumaric acid, PIPES, Terephthalic acid, Vanillic acid |