8A9G

Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00003
Spacegroup name	P 2 21 21
Unit cell lengths	57.350, 78.070, 122.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.850 - 1.961
R-factor	0.2506
Rwork	0.250
R-free	0.26120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o02
RMSD bond length	0.026
RMSD bond angle	1.370
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (24-FEB-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.850	2.133
High resolution limit [Å]	1.961	1.961
Rmerge	0.089	1.381
Rmeas	0.095
Rpim	0.035	0.562
Number of reflections	31964	1599
<I/σ(I)>	12.7	1.5
Completeness [%]	94.1	55.3
Redundancy	7.4	6.9
CC(1/2)	0.999	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	0.4 M MgCl2 27% w/v PEG 3350 0.1 M Bis Tris 6.5 pH