7DH7

Crystal structure of apo XcZur

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-05
Detector	PSI PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	153.391, 77.871, 73.063
Unit cell angles	90.00, 103.07, 90.00

Refinement procedure

Resolution	38.940 - 2.200
R-factor	0.2221
Rwork	0.219
R-free	0.27550
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.18rc1_3777)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.200	2.200
Rmerge	0.048	0.387
Number of reflections	42394	6926
<I/σ(I)>	13.01
Completeness [%]	98.7
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M calcium acetate hydrate, 0.1 M sodium cacodylate trihydrate pH 6.5, 18% w/v polyethylene glycol 8,000, 0.3 M glycyl-glycyl-glycine