7B2D

Complement inhibitor CirpA1 from Rhipicephalus pulchellus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-31
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 2 2 21
Unit cell lengths	72.676, 45.806, 57.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.070 - 1.960
R-factor	0.1941
Rwork	0.193
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zui
RMSD bond length	0.008
RMSD bond angle	0.887
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.070	2.110
High resolution limit [Å]	1.960	1.960
Rmerge	0.122	1.317
Number of reflections	14374	1047
<I/σ(I)>	11.5
Completeness [%]	100.0
Redundancy	11.4
CC(1/2)	0.998	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M imidazole malate, pH 6, 30% (w/v) PEG4000