7PK5

Phosphodiesterase PdeL (EAL domain of crystals comprising full-length protein)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-15
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.999987
Spacegroup name	P 1 21 1
Unit cell lengths	86.408, 170.209, 93.085
Unit cell angles	90.00, 94.37, 90.00

Refinement procedure

Resolution	25.000 - 4.400
R-factor	0.3743
Rwork	0.373
R-free	0.39720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lyk
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.410	48.410	4.920
High resolution limit [Å]	4.400	9.840	4.400
Rmerge	0.132	0.046	0.807
Rmeas	0.142	0.050	0.868
Rpim	0.053	0.019	0.318
Total number of observations	120886	11111	35201
Number of reflections	16934	1567	4801
<I/σ(I)>	7.8	32.7	2.2
Completeness [%]	99.0	99	99.8
Redundancy	7.1	7.1	7.3
CC(1/2)	0.999	0.999	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.3 M Sodium acetate trihydrate 0.1 M Tris 7.5 8 % w/v PEG 20,000 8 % v/v PEG 500 MME