6Y3O

14-3-3 Sigma in complex with phosphorylated CAMKK2 peptide

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	2019-12-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.973
Spacegroup name	C 2 2 21
Unit cell lengths	82.509, 112.497, 62.433
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.530 - 1.500
R-factor	0.1746
Rwork	0.173
R-free	0.19810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lw1
RMSD bond length	0.005
RMSD bond angle	0.763
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.530	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	36541	241
<I/σ(I)>	18.4
Completeness [%]	78.4
Redundancy	10
CC(1/2)	1.000	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	28% (v/v) PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME