7DLL

Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 2 21 21
Unit cell lengths	69.915, 82.171, 92.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.340 - 1.890
R-factor	0.2036
Rwork	0.202
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ctm
RMSD bond length	0.006
RMSD bond angle	1.694
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.340	1.850
High resolution limit [Å]	1.790	1.790
Number of reflections	51080	5029
<I/σ(I)>	21.2
Completeness [%]	99.9
Redundancy	9.9
CC(1/2)	0.999	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293.15	200 mM Ammonium acetate, 20% PEG 3350, pH 7.1