6FG5

Schistosoma mansoni Phosphodiesterase 4A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	81.799, 81.799, 256.127
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.500 - 2.350
R-factor	0.20508
Rwork	0.203
R-free	0.24514
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ezu
RMSD bond length	0.028
RMSD bond angle	2.417
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	2.440
High resolution limit [Å]	2.350	2.350
Rmerge	0.071	0.664
Rpim	0.030	0.278
Number of reflections	42312	4256
<I/σ(I)>	2.35
Completeness [%]	99.6	96.6
Redundancy	6.5	6.4
CC(1/2)	0.999	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	14-16% (w/v) PEG 3350, 0.4 M ammonium sulphate