7ARX

Crystal structure of the catalytic fragment of masp-1 in complex with SFMI1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-11
Detector	MAR CCD 165 mm
Wavelength(s)	0.9769
Spacegroup name	P 31 2 1
Unit cell lengths	69.300, 69.300, 161.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.850 - 2.420
R-factor	0.2574
Rwork	0.256
R-free	0.28490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gov
RMSD bond length	0.002
RMSD bond angle	0.452
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.520	2.500
High resolution limit [Å]	2.420	2.420
Rmeas	0.106	2.080
Number of reflections	17832	1564
<I/σ(I)>	14.74
Completeness [%]	97.1	76.7
Redundancy	7.83	7.05
CC(1/2)	0.999	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M Hepes, 42 w/v% PEG200, pH 7.5