9S85

Amuc0121_S1_15 in complex with O6 sulfated D-Galactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-01
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	65.055, 91.127, 160.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.270 - 1.800
Rwork	0.185
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.584
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.270	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	1210143	61485
<I/σ(I)>	8
Completeness [%]	100.0
Redundancy	13.6
CC(1/2)	0.996	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Morpheus D12- 37. 5 % Precipitant mix 4(25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350), 0.1 M Buffer system 3 pH 8.5 (Tris (base); BICINE), 0.12 M Alcohols (0.2M 1,6-Hexanediol; 0.2M 1-Butanol 0.2M 1,2-Propanediol; 0.2M 2-Propanol; 0.2M 1,4-Butanediol; 0.2M 1,3-Propanediol). 36 mg/ml Amuc0121_C78S, 10 mM O6 sulfated D-galactose