7UQO

Pathogenesis related 10-10 (S)-tetrahydropapaverine complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	48.514, 71.586, 91.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.800 - 1.750
R-factor	0.2012
Rwork	0.198
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7uql
RMSD bond length	0.016
RMSD bond angle	1.478
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.800	1.800
High resolution limit [Å]	1.750	1.750
Number of reflections	16490	1170
<I/σ(I)>	22.55
Completeness [%]	99.4
Redundancy	8.6
CC(1/2)	0.999	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, Bis-Tris pH 5.5