8HW0

the structure of AKR6D1

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	2021-09-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	I 4 2 2
Unit cell lengths	157.650, 157.650, 111.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.850 - 1.500
R-factor	0.1749
Rwork	0.175
R-free	0.17960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.301
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (V3.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.850	1.554
High resolution limit [Å]	1.500	1.500
Number of reflections	110879	10918
<I/σ(I)>	25.84
Completeness [%]	99.9
Redundancy	26.3
CC(1/2)	0.999	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	NaCl