31GN

Crystal structure of the substrate-binding domain of S. cerevisiae Ssc1 in complex with peptide LSLPPVKLHC

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	2024-03-13
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0332
Spacegroup name	P 43
Unit cell lengths	70.892, 70.892, 92.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.120 - 2.230
R-factor	0.2143
Rwork	0.213
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.407
Data reduction software	XDS (20250714)
Data scaling software	XDS (20250714)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.370
High resolution limit [Å]	2.230	2.230
Rmerge	0.181	2.430
Rmeas	0.188	2.530
Number of reflections	22406	3613
<I/σ(I)>	10.97	1.36
Completeness [%]	99.9	99.7
Redundancy	13.54	13.25
CC(1/2)	0.998	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	277	0.1 M sodium cacodylate, 0.2 M magnesium acetate, 24% (w/v) PEG 8000