6S0A

Crystal Structure of Properdin (TSR domains N12 & 456)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	I 4 2 2
Unit cell lengths	114.753, 114.753, 232.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	102.881 - 2.520
R-factor	0.2489
Rwork	0.248
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.731
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]	102.881	2.709
High resolution limit [Å]	2.516	2.516
Rmerge	0.185	1.639
Rmeas	0.196	1.722
Rpim	0.063	0.522
Number of reflections	16212	810
<I/σ(I)>	7.5	1.5
Completeness [%]	60.5	15.5
Redundancy	8.8	10.8
CC(1/2)	0.996	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	Sodium Citrate, PEG 3000