8A49

Endoglycosidase S in complex with IgG1 Fc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	96.529, 174.294, 193.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.780 - 3.450
Rwork	0.253
R-free	0.31120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6en3
RMSD bond length	0.002
RMSD bond angle	0.604
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.780	3.510
High resolution limit [Å]	3.450	3.450
Rmerge	0.144	1.951
Rmeas	0.150	2.023
Rpim	0.040	0.532
Number of reflections	43678	2124
<I/σ(I)>	11.2	0.6
Completeness [%]	100.0	100
Redundancy	13.7	14.3
CC(1/2)	1.000	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	0.09 M halogens (0.3M Sodium fluoride; 0.3M Sodium bromide; 0.3M Sodium iodide), 0.1 M buffer system 2 (Sodium HEPES; MOPS (acid)), pH 7.5, 37.5 % v/v precipitant mix 4 (25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350) - condition B8 from Morpheus crystallisation screen (Molecular Dimensions)