5CKN

The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	83.640, 91.340, 127.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.545 - 2.600
R-factor	0.2089
Rwork	0.207
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nto
RMSD bond length	0.004
RMSD bond angle	0.962
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.600	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	29893
<I/σ(I)>	16.04	2.1
Completeness [%]	97.6	98.8
Redundancy	5	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	100 mM Tris-Ac pH 8 + 40% MPD and 80 mM sodium acetate