4IGD

Crystal structure of the zymogen catalytic region of Human MASP-1

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	2011-04-21
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9334
Spacegroup name	P 21 21 21
Unit cell lengths	63.310, 69.610, 117.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.971 - 2.500
R-factor	0.2207
Rwork	0.219
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	INDIVIDUAL DOMAINS OF PDB ENTRY 3GOV
RMSD bond length	0.002
RMSD bond angle	0.569
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.073	0.632
Number of reflections	18608
<I/σ(I)>	18.75	3.37
Completeness [%]	99.7	100
Redundancy	6.84	6.14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	20%(v/v) PEG400, 0.1M imidazole, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K