4IW4

Crystal structure of the serine protease domain of MASP-3 in complex with ecotin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-04
Detector	ADSC QUANTUM 210
Wavelength(s)	0.93340
Spacegroup name	P 21 21 2
Unit cell lengths	66.720, 164.620, 90.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 3.200
R-factor	0.21094
Rwork	0.208
R-free	0.26908
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.128
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	3.250
High resolution limit [Å]	3.200	10.000	3.200
Number of reflections	16636
Completeness [%]	97.0	98.4	90.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	298	20% PEG2000MME, 0.2M ammonium sulfate, 0.1M sodium acetate pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	4.7	298	20% PEG2000MME, 0.2M ammonium sulfate, 0.1M sodium acetate pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	4.7	298	20% PEG2000MME, 0.2M ammonium sulfate, 0.1M sodium acetate pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	4.7	298	20% PEG2000MME, 0.2M ammonium sulfate, 0.1M sodium acetate pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K