7NMA

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-12
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5419
Spacegroup name	C 2 2 21
Unit cell lengths	83.250, 112.717, 62.859
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.960 - 1.750
R-factor	0.1723
Rwork	0.170
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.009
RMSD bond angle	0.927
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]	41.960	1.800
High resolution limit [Å]	1.750	1.750
Rmerge	0.119
Number of reflections	29576	1931
<I/σ(I)>	10.2	2.8
Completeness [%]	98.7
Redundancy	6
CC(1/2)	0.995	0.809

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