4HW5

Crystal Structure of the Human C3a 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
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 63
Unit cell lengths	63.880, 63.880, 105.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.651 - 2.250
Rwork	0.244
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a73
RMSD bond length	0.007
RMSD bond angle	1.034
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall
Low resolution limit [Å]	19.700
High resolution limit [Å]	2.250
<I/σ(I)>	20.6
Completeness [%]	99.8
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	2-2.2 M ammonium sulfate with the pH ranging from 6 to 9 , VAPOR DIFFUSION, SITTING DROP, temperature 292K