7DQX

Crystal structure of xanthine dehydrogenase family protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	CCD
Collection date	2019-12-06
Detector	Nonius Kappa CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	112.860, 126.792, 294.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	147.240 - 3.440
R-factor	0.2894
Rwork	0.287
R-free	0.32600
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.388
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	147.240	3.550
High resolution limit [Å]	3.430	3.430
Number of reflections	56814	5553
<I/σ(I)>	1.1
Completeness [%]	96.0
Redundancy	12.2
CC(1/2)	0.870	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 4000