6MDS

Crystal structure of Streptococcus pyogenes endo-beta-N-acetylglucosaminidase (EndoS2) with complex biantennary glycan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	89.378, 105.514, 259.768
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.712 - 2.500
R-factor	0.1955
Rwork	0.193
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e58
RMSD bond length	0.009
RMSD bond angle	1.204
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.712	39.710	2.550
High resolution limit [Å]	2.500	12.500	2.500
Rmerge	0.153	0.043	1.115
Rmeas	0.174	0.049	1.269
Rpim	0.080	0.022	0.586
Number of reflections	75988	560	4663
<I/σ(I)>	7.4
Completeness [%]	90.0	76.8	93.7
Redundancy	4.1	4.3	4.1
CC(1/2)	0.991	0.997	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	0.2 M sodium citrate tribasic, 0.1 M sodium citrate, pH 4, 20% w/v PEG3350