7UJS
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B in complex with ADP
Replaces: 6XDUExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-03 |
Detector | DECTRIS PILATUS3 R 200K-A |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.006, 65.233, 53.713 |
Unit cell angles | 90.00, 95.26, 90.00 |
Refinement procedure
Resolution | 44.860 - 2.750 |
R-factor | 0.2007 |
Rwork | 0.197 |
R-free | 0.26220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vzk |
RMSD bond length | 0.003 |
RMSD bond angle | 1.267 |
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 | 1.990 |
High resolution limit [Å] | 1.960 | 5.320 | 1.960 |
Rmerge | 0.130 | 0.108 | 0.485 |
Rmeas | 0.161 | 0.137 | 0.599 |
Rpim | 0.094 | 0.083 | 0.346 |
Total number of observations | 48712 | ||
Number of reflections | 17848 | 959 | 757 |
<I/σ(I)> | 9.5 | ||
Completeness [%] | 93.8 | 96.6 | 82.7 |
Redundancy | 2.7 | 2.4 | 2.5 |
CC(1/2) | 0.957 | 0.758 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 277 | 0.1M 1,3-bis(tris(hydroxymethyl)methylamino)propane, 0.1 M Ammonium sulfate, 20% PEG 3350 |