7BMC

Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide and stabilizing Fusicoccin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	298
Detector technology	PIXEL
Collection date	2020-09-08
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5419
Spacegroup name	C 2 2 21
Unit cell lengths	83.716, 111.429, 62.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.300 - 2.000
R-factor	0.185
Rwork	0.183
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.002
RMSD bond angle	0.576
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.300	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.098	0.267
Number of reflections	19805	927
<I/σ(I)>	6.5
Completeness [%]	98.6	92.2
Redundancy	3.2
CC(1/2)	0.955	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.095 M Hepes pH 7.1, 25% PEG 400, 0.19 M CaCl2 and 5% Glycerol