7XPI

Structure of a oxidoreductase

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	2019-11-16
Detector	MAR CCD 165 mm
Wavelength(s)	0.9791
Spacegroup name	P 65 2 2
Unit cell lengths	113.376, 113.376, 125.892
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.110 - 2.000
R-factor	0.2017
Rwork	0.200
R-free	0.23240
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	RESOLVE
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	32799	3350
<I/σ(I)>	621.3
Completeness [%]	99.9
Redundancy	20
CC(1/2)	0.993	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.8 M (NH4)2SO4, 0.1 M Bis-Tris pH 6.5, 3% w/v PEG 550MME