4HWJ

Crystal Structure of the Human C3a desArg anaphylatoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.8
Spacegroup name	P 63 2 2
Unit cell lengths	63.750, 63.750, 106.430
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.861 - 2.600
R-factor	0.2272
Rwork	0.223
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.630
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.900	2.700
High resolution limit [Å]	2.600	2.600
Number of reflections	4320
<I/σ(I)>	29.3	8.3
Completeness [%]	99.6	100
Redundancy	21.6	22.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	0.1 M Tris pH 7.5-8.5, 25 % w/v PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 292K