7NP2

Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96862
Spacegroup name	C 2 2 21
Unit cell lengths	82.419, 111.941, 62.673
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.210 - 1.270
R-factor	0.1669
Rwork	0.166
R-free	0.18150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.008
RMSD bond angle	0.878
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]	41.210	1.300
High resolution limit [Å]	1.270	1.270
Rpim	0.098	0.463
Number of reflections	76770	76770
<I/σ(I)>	8.8	3.2
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	0.980	0.827

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