8C3C

14-3-3 sigma with Pin1 binding site pS72 and bound Fusicoccin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.972425
Spacegroup name	C 2 2 21
Unit cell lengths	82.847, 111.544, 62.544
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.540 - 1.600
R-factor	0.192
Rwork	0.192
R-free	0.19960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.425
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.510	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	73894	1879
<I/σ(I)>	30.1	7.1
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	0.999	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	HEPES, magnesium chloride, calcium chloride, 2-mercaptoethanol, PEG400, glycerol, DMSO