5DUQ

Active human c1-inhibitor in complex with dextran sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9686
Spacegroup name	C 1 2 1
Unit cell lengths	112.100, 197.424, 56.779
Unit cell angles	90.00, 103.31, 90.00

Refinement procedure

Resolution	44.360 - 2.900
R-factor	0.23084
Rwork	0.228
R-free	0.27829
RMSD bond length	0.011
RMSD bond angle	1.589
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall
Low resolution limit [Å]	44.360
High resolution limit [Å]	2.900
Rmerge	0.113
Number of reflections	26376
<I/σ(I)>	7.2
Completeness [%]	98.6
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	11 mg/ml of C1-inhibitor was mixed with 5kDa dextran sulfate in a 1:2 molar ratio and incubated on ice for an hour. Crystals grew in0.1 M SPG (pH 9), 25% w/v PEG 1500 0.1 M MgCl hexahydrate after 10 days.