5FBI

COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 3b

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-27
Detector	MARRESEARCH
Wavelength(s)	0.98370
Spacegroup name	P 1 21 1
Unit cell lengths	55.067, 50.655, 39.326
Unit cell angles	90.00, 105.35, 90.00

Refinement procedure

Resolution	30.360 - 1.470
R-factor	0.1744
Rwork	0.173
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fbe
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.360	1.500
High resolution limit [Å]	1.470	1.470
Rmerge	0.058	0.394
Number of reflections	36222
<I/σ(I)>	13	3.5
Completeness [%]	99.6	94.4
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1 Microliter of protein solution was mixed with 1 microliter of reservoir solution. Protein solution: 18.3 mg/ml factor D, 10 mM Tris pH 7.0, 100 mM sodium chloride; Reservoir solution: 22% PEG3350, 100 mM HEPES pH 7.5; Soaking and cryo: 0.5 ul 100 mM compound 3b in 90% DMSO was added to the crystal containing drop and incubated for 45 min followed by the addition of 0.5 ul glyerol and flash freezing in liquid nitrogen.