4D9R

Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D

Experimental procedure

Experimental method	SINGLE
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	132.048, 132.048, 180.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.840 - 2.420
R-factor	0.2149
Rwork	0.213
R-free	0.25120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hfd
RMSD bond length	0.010
RMSD bond angle	1.250
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	BUSTER-TNT (BUSTER 2.9.6)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.510
High resolution limit [Å]	2.420	5.200	2.420
Rmerge	0.099	0.067	0.505
Number of reflections	60502
<I/σ(I)>	9.8
Completeness [%]	98.6	94.5	99.5
Redundancy	4	4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M Tris-HCl, 0.02 M NH4PO4, MPD 50.0% v/v, 0.01 M hexamine cobalt (III) chloride, pH 8.5, vapor diffusion, hanging drop, temperature 277K