8HNQ

The structure of a alcohol dehydrogenase AKR13B2 with NADP

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	2021-10-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	66.114, 67.582, 87.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.790 - 2.000
R-factor	0.1545
Rwork	0.152
R-free	0.18550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.989
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.790	2.072
High resolution limit [Å]	2.000	2.000
Number of reflections	26019	2555
<I/σ(I)>	15.94
Completeness [%]	95.8	95.91
Redundancy	5.6
CC(1/2)	0.993	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	PEG3350, TRIS