8PVQ

Crystal Structure of Human PTX3 C-terminal domain

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	2019-05-11
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9159
Spacegroup name	H 3 2
Unit cell lengths	138.003, 138.003, 69.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.330 - 2.430
R-factor	0.2187
Rwork	0.216
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.790
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.330	2.517
High resolution limit [Å]	2.430	2.430
Rpim	0.044	0.660
Number of reflections	9663	950
<I/σ(I)>	8.66	1.08
Completeness [%]	99.5	99.37
Redundancy	6.5
CC(1/2)	0.998	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10% w/v PEG 8000, 20% v/v ethylene glycol, 0.03 M of each halide, 0.1 M MOPS/HEPES-Na pH 7.5) * 0.3 M sodium fluoride, 0.3 M sodium bromide, 0.3 M sodium iodide