9FDO

Structure of synthetic C-terminal biotinylated schistosomin with the point mutation D88E from Biomphalaria glabrata in C2 space group

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	2021-04-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.90745
Spacegroup name	C 1 2 1
Unit cell lengths	87.680, 37.960, 43.190
Unit cell angles	90.00, 95.35, 90.00

Refinement procedure

Resolution	43.649 - 2.055
R-factor	0.231
Rwork	0.229
R-free	0.27490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.930
Data reduction software	autoPROC
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.649	2.166
High resolution limit [Å]	2.055	2.056
Rmerge	0.133	1.158
Number of reflections	7585	379
<I/σ(I)>	7.7
Completeness [%]	84.5
Redundancy	5.7
CC(1/2)	0.994	0.313

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	AS, Tris HCl, NaB