9JDQ

Crystal structure of reductase EA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	CCD
Collection date	2020-02-01
Detector	MAR CCD 130 mm
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	142.747, 67.670, 74.549
Unit cell angles	90.00, 117.88, 90.00

Refinement procedure

Resolution	19.920 - 1.710
R-factor	0.23
Rwork	0.230
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h5x
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.836
High resolution limit [Å]	1.710	1.713
Number of reflections	67589	23390
<I/σ(I)>	2.3
Completeness [%]	97.7	95.1
Redundancy	2
CC(1/2)	0.750	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	peg 3350