7VR4

Crystal structure of (-)-pulegone reductase PR1294 from Nepeta tenuifolia in complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	68.245, 71.199, 81.146
Unit cell angles	90.00, 101.58, 90.00

Refinement procedure

Resolution	19.628 - 1.690
R-factor	0.1633
Rwork	0.162
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eql
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.630	1.750
High resolution limit [Å]	1.690	1.690
Number of reflections	80816	3348
<I/σ(I)>	16.4
Completeness [%]	96.5	79.07
Redundancy	6.5
CC(1/2)	0.997	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M ammonium sulfate, 0.1 M Bis-Tris (pH 6.5), 25 % W/V PEG 3350