7BM9

Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	298
Detector technology	PIXEL
Collection date	2020-09-01
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5419
Spacegroup name	C 2 2 21
Unit cell lengths	82.554, 112.317, 62.809
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.860 - 1.800
R-factor	0.1415
Rwork	0.139
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.008
RMSD bond angle	0.870
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]	41.880	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.092	0.305
Number of reflections	26877	1251
<I/σ(I)>	15.5	4.8
Completeness [%]	98.2	92.7
Redundancy	6.3
CC(1/2)	0.997	0.929

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