8W4G

Crystal structure of EndoSz mutant D234M, from Streptococcus equi subsp. Zooepidemicus Sz105

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	50.947, 101.207, 234.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.570 - 2.150
R-factor	0.2165
Rwork	0.215
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.570	2.230
High resolution limit [Å]	2.150	2.150
Number of reflections	66610	6627
<I/σ(I)>	6.8
Completeness [%]	99.1
Redundancy	3.2
CC(1/2)	0.995	0.683

Crystallization Conditions

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