7NFW

Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide

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)	0.999
Spacegroup name	C 2 2 21
Unit cell lengths	82.007, 112.003, 62.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.160 - 1.190
R-factor	0.2111
Rwork	0.210
R-free	0.22620
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4jc3
RMSD bond length	0.008
RMSD bond angle	0.910
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]	66.160	1.279
High resolution limit [Å]	1.190	1.190
Rmerge	0.260	3.413
Rmeas	0.273	3.641
Rpim	0.078	1.241
Number of reflections	75691	3784
<I/σ(I)>	10.2	1.7
Completeness [%]	82.2	21.4
Redundancy	11.9	8
CC(1/2)	0.994	0.221

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	5 % Glycerol, 27.4% PEG 400, 0.19 M Calciumchloridedihydrate, 0.0678 M HEPES, 0.0272 M HEPES