7NIZ

Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	170
Detector technology	PIXEL
Collection date	2020-12-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	C 2 2 21
Unit cell lengths	84.208, 110.938, 62.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.070 - 1.480
R-factor	0.2122
Rwork	0.211
R-free	0.23940
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4jdd
RMSD bond length	0.008
RMSD bond angle	0.880
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BUSTER (2.10.3)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.074	1.642
High resolution limit [Å]	1.480	1.480
Rmerge	0.499	5.126
Rmeas	0.520	5.331
Rpim	0.144	1.450
Number of reflections	33462	21528
<I/σ(I)>	7.3	1.7
Completeness [%]	68.0	12.8
Redundancy	12.9	12.9
CC(1/2)	0.983	0.131

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	5 %Glycerol, 0.19 M Calciumchloridedihydrate, 29% PEG 400, 0.0406 M HEPES pH 7.0, 0.0544 M HEPES pH 7.6