8BZF

FC-J acetonide stabilizer of 14-3-3 and ERalpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.033200
Spacegroup name	C 2 2 21
Unit cell lengths	81.850, 112.086, 62.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.390 - 1.530
R-factor	0.1846
Rwork	0.183
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.214
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.100	1.560
High resolution limit [Å]	1.530	1.530
Number of reflections	43668	2142
<I/σ(I)>	24.3
Completeness [%]	100.0
Redundancy	13
CC(1/2)	1.000	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol