7ZMU

14-3-3s binding to non-natural peptide 2d

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	2021-05-04
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	82.278, 112.007, 62.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.550 - 1.600
R-factor	0.2557
Rwork	0.254
R-free	0.29370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.550	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	73822	1880
<I/σ(I)>	8.2	3.5
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.988	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	277	95 mM HEPES pH 7.1, 0.19 M CaCl2, 5% glycerol and 27% PEG400