7NN2

Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 41

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-27
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5419
Spacegroup name	C 2 2 21
Unit cell lengths	82.410, 112.042, 62.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.450 - 1.800
R-factor	0.1499
Rwork	0.147
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.009
RMSD bond angle	0.940
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]	41.160	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.038	0.103
Number of reflections	26830	1844
<I/σ(I)>	31.6	13.3
Completeness [%]	98.5
Redundancy	6.3
CC(1/2)	0.997	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol