6S08

Crystal Structure of Properdin (TSR domains N1 & 456)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9789
Spacegroup name	C 1 2 1
Unit cell lengths	111.995, 114.860, 39.822
Unit cell angles	90.00, 99.56, 90.00

Refinement procedure

Resolution	79.610 - 2.030
R-factor	0.2136
Rwork	0.212
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.589
Data reduction software	DIALS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.610	2.305
High resolution limit [Å]	2.030	2.030
Rmerge	0.161	1.249
Rmeas	0.190	1.482
Rpim	0.100	0.784
Number of reflections	17424	871
<I/σ(I)>	3.4	1.5
Completeness [%]	54.5	8.7
Redundancy	3.5	3.4
CC(1/2)	0.982	0.469

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Potassium Sulphate, PEG 3350