7ORG

Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ162

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-24
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	C 2 2 21
Unit cell lengths	82.607, 110.882, 61.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.070 - 1.800
R-factor	0.1618
Rwork	0.160
R-free	0.20220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.009
RMSD bond angle	1.104
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.070	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.068	0.245
Number of reflections	25796	1183
<I/σ(I)>	16.6	4.8
Completeness [%]	98.1	91.8
Redundancy	6.2	5.1
CC(1/2)	0.998	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.095 M Hepes pH7.3, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol