7DMG

Short chain dehydrogenase 2 (SCR2) crystal structure with NADP

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	70.006, 82.924, 91.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.550 - 1.790
R-factor	0.1605
Rwork	0.160
R-free	0.17130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ctm
RMSD bond length	0.009
RMSD bond angle	2.211
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]	61.550	1.960
High resolution limit [Å]	1.790	1.890
Number of reflections	51133	4036
<I/σ(I)>	24.6
Completeness [%]	98.8
Redundancy	9.9
CC(1/2)	0.999	0.980

Crystallization Conditions

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