6QMR

Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-01-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	66.151, 66.613, 76.377
Unit cell angles	83.69, 64.36, 74.65

Refinement procedure

Resolution	49.230 - 2.000
R-factor	0.2216
Rwork	0.220
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dsu
RMSD bond length	0.016
RMSD bond angle	1.904
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.900	1.630
High resolution limit [Å]	1.540	1.540
Rmerge	0.072	0.837
Rmeas	0.102	1.180
Number of reflections	142642	21044
<I/σ(I)>	5.82	0.7
Completeness [%]	84.5	77.2
Redundancy	1.73	1.59
CC(1/2)	0.996	0.381

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG MME 2000, 0.1M sodium thiocyanate