5TCC

Complement Factor D inhibited with JH4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 2 2 21
Unit cell lengths	98.886, 143.745, 346.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.860 - 3.370
R-factor	0.242
Rwork	0.241
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bio
RMSD bond length	0.008
RMSD bond angle	1.010
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	BUSTER-TNT (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.420
High resolution limit [Å]	3.360	9.100	3.360
Rmerge	0.102	0.033	0.259
Rmeas	0.105
Rpim	0.027
Total number of observations	517784
Number of reflections	35335
<I/σ(I)>	8.5
Completeness [%]	100.0	99.9	100
Redundancy	14.7	12.4	15
CC(1/2)		0.999	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M MES pH 6.5 and 25% PEG 8000