6YO8

Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	C 1 2 1
Unit cell lengths	158.651, 99.880, 84.812
Unit cell angles	90.00, 93.73, 90.00

Refinement procedure

Resolution	60.850 - 2.090
R-factor	0.225
Rwork	0.224
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o02
RMSD bond length	0.014
RMSD bond angle	1.190
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.474	2.122
High resolution limit [Å]	2.086	2.086
Rmerge	0.061
Rmeas	0.073
Rpim	0.039
Number of reflections	77152	3821
<I/σ(I)>	9
Completeness [%]	98.3	97.8
Redundancy	3.4	3.4
CC(1/2)	0.997	0.296

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.3	277.15	1.29 M MgCl2, 22.5% PEG 3350, 0.1 M Tris pH 8.3, supplemented with 10% of an additive buffer containing 40% v/v of 2,5-Hexanediol