8W4I

Crystal structure of EndoSz mutant D234M in space group P21

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	2019-02-24
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	51.412, 101.716, 129.243
Unit cell angles	90.00, 90.37, 90.00

Refinement procedure

Resolution	28.300 - 2.900
R-factor	0.2323
Rwork	0.229
R-free	0.27250
Structure solution method	MOLECULAR REPLACEMENT
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]	28.300	3.010
High resolution limit [Å]	2.900	2.910
Number of reflections	29373	2912
<I/σ(I)>	8.4
Completeness [%]	99.5
Redundancy	2
CC(1/2)	0.991	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M sodium citrate pH 5.4 and 2.2 M ammonium sulfate