8BYZ

fragment-linked stabilizer for ERa - 14-3-3 interaction (AZ210)

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	2019-07-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.033200
Spacegroup name	C 2 2 21
Unit cell lengths	81.632, 111.805, 62.489
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.350 - 1.400
R-factor	0.1698
Rwork	0.169
R-free	0.18240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.935
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]	65.930	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	52501	1590
<I/σ(I)>	17
Completeness [%]	93.1
Redundancy	6.6
CC(1/2)	0.997	0.910

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