7ZMW

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-20
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.541870
Spacegroup name	C 2 2 21
Unit cell lengths	81.976, 111.609, 62.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.030 - 1.800
R-factor	0.1814
Rwork	0.179
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.030	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	48998	1415
<I/σ(I)>	11.2	3
Completeness [%]	97.4
Redundancy	6
CC(1/2)	0.996	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	95 mM HEPES pH 7.5, 0.19 M CaCl2, 5% glycerol and 28% PEG400