8X8G

Crystal structure of EndoSz mutant D234M, from Streptococcus equi subsp. Zooepidemicus Sz105, in complex with oligosaccharide G2S2-oxazoline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-23
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	101.061, 232.603, 50.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.440 - 2.270
R-factor	0.2096
Rwork	0.207
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.917
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.440	2.350
High resolution limit [Å]	2.270	2.270
Number of reflections	56140	5550
<I/σ(I)>	6.3
Completeness [%]	99.6
Redundancy	3.2
CC(1/2)	0.995	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	sodium HEPES (0.1 M, pH 7.5) and sodium citrate tribasic (1.4M)