7NIX

14-3-3 sigma with AS160 binding site pT642

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976284
Spacegroup name	P 61 2 2
Unit cell lengths	121.219, 121.219, 74.464
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.610 - 1.900
R-factor	0.1865
Rwork	0.186
R-free	0.20410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jdd
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.980	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.104	1.550
Rmeas	0.105	1.570
Rpim	0.017	0.252
Number of reflections	25949	1623
<I/σ(I)>	25.4
Completeness [%]	100.0	100
Redundancy	37.5	38.7
CC(1/2)	1.000	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	277	40% (v/v) MPD, 100 mM CHES/ Sodium hydroxide pH 9.5