7DH8

Crystal structure of holo XcZur

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-01-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	34.560, 122.900, 86.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.571 - 1.850
R-factor	0.2166
Rwork	0.213
R-free	0.25170
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.571	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.040
Rmeas		0.529
Number of reflections	186417	15557
<I/σ(I)>	15.35
Completeness [%]	95.5
Redundancy	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M Sodium malonate pH 5.0, 20% w/v Polyethylene glycol 3,350