7UJT
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D) in complex with ATP
Replaces: 6XOEExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-09 |
Detector | DECTRIS PILATUS3 R 200K-A |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.308, 67.252, 45.722 |
Unit cell angles | 90.00, 94.43, 90.00 |
Refinement procedure
Resolution | 38.650 - 2.100 |
R-factor | 0.2055 |
Rwork | 0.203 |
R-free | 0.24650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vzk |
RMSD bond length | 0.002 |
RMSD bond angle | 1.176 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.098 | 0.049 | 0.297 |
Rmeas | 0.117 | 0.060 | 0.362 |
Rpim | 0.062 | 0.034 | 0.204 |
Total number of observations | 54369 | ||
Number of reflections | 16704 | 869 | 803 |
<I/σ(I)> | 9.9 | ||
Completeness [%] | 99.6 | 99.5 | 97.3 |
Redundancy | 3.3 | 3 | 2.8 |
CC(1/2) | 0.995 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M 1,3-bis(tris(hydroxymethyl)methylamino)propane, 0.2 M Sodium chloride, 25% PEG 3350 |