7N53

Complex structure of PAP4 with papaverine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	C 1 2 1
Unit cell lengths	106.755, 68.568, 69.569
Unit cell angles	90.00, 127.53, 90.00

Refinement procedure

Resolution	48.800 - 1.600
R-factor	0.1802
Rwork	0.179
R-free	0.19910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vw0
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18rc3_3805)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.055	0.042	0.474
Rmeas	0.065	0.050	0.566
Rpim	0.034	0.026	0.306
Total number of observations	183523
Number of reflections	52245	2689	2579
<I/σ(I)>	6.8
Completeness [%]	99.8	99.8	99.5
Redundancy	3.5	3.5	3.2
CC(1/2)		0.996	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20% PEG3350, 0.2 M ammonium sulfate, 0.1 M sodium chloride, 0.1 M MES