7UIS

Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)

Replaces:  7KL4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-09
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	43.413, 71.426, 45.276
Unit cell angles	90.00, 97.51, 90.00

Refinement procedure

Resolution	24.370 - 2.580
R-factor	0.2198
Rwork	0.217
R-free	0.26750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vzk
RMSD bond length	0.003
RMSD bond angle	1.269
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	2.640
High resolution limit [Å]	2.580	7.050	2.600
Rmerge	0.162	0.086	0.678
Rmeas	0.194	0.107	0.804
Rpim	0.105	0.062	0.429
Number of reflections	8402	437	405
<I/σ(I)>	5.8
Completeness [%]	96.9	95.8	92.5
Redundancy	3.3	2.9	3.4
CC(1/2)		0.979	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M Bis-tris propane pH 6.5, 0.2 M Sodium chloride, 25% PEG 3350