7UQM

Pathogenesis related 10-10 papaverine 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	2020-10-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	48.758, 71.996, 92.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.000 - 1.800
R-factor	0.1988
Rwork	0.194
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7uql
RMSD bond length	0.015
RMSD bond angle	1.504
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]	37.000	1.840
High resolution limit [Å]	1.790	1.790
Number of reflections	15363	1087
<I/σ(I)>	40.14
Completeness [%]	99.0
Redundancy	8.6
CC(1/2)	1.000	0.988

Crystallization Conditions

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