8C2E

Structure of 14-3-3 sigma delta C with electrophilic peptide 4IEA-5

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	2022-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03322
Spacegroup name	C 2 2 21
Unit cell lengths	82.513, 111.724, 63.077
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.920 - 2.200
R-factor	0.17757
Rwork	0.175
R-free	0.22067
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.515
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.920	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	15133	1292
<I/σ(I)>	12.1
Completeness [%]	99.7
Redundancy	12.8
CC(1/2)	0.991	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.095 M HEPES pH 7.7, 24% (v/v) PEG400 0.19 M CaCl2, 5% (v/v) Glycerol