4P3B

Crystal structure of the mouse C5a-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	2013-11-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 43
Unit cell lengths	55.210, 55.210, 117.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.509 - 2.100
R-factor	0.1825
Rwork	0.180
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p3a
RMSD bond length	0.003
RMSD bond angle	0.711
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.200
High resolution limit [Å]	2.100	30.000	2.100
Rmerge	0.113	0.042	0.662
Rmeas	0.123	0.049	0.722
Total number of observations	131068
Number of reflections	20489	5	2655
<I/σ(I)>	14.62	17.24	2.95
Completeness [%]	99.9	71.4	100
Redundancy	6.4		6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.3	277	0.1 M Na acetate pH 4.3, 2.4 M Na Formate, 3 % D-glucose monohydrate