4M76

Integrin I domain of complement receptor 3 in complex with C3d

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Detector	PSI PILATUS 6M
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	144.460, 65.120, 62.540
Unit cell angles	90.00, 115.69, 90.00

Refinement procedure

Resolution	45.107 - 2.804
R-factor	0.1979
Rwork	0.194
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb entries 1IDO 1c3d
RMSD bond length	0.002
RMSD bond angle	0.657
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	98.895		3.000
High resolution limit [Å]	2.800	50.000	2.800
Rmerge	0.049		0.291
Number of reflections	12888
<I/σ(I)>	16.77		4.47
Completeness [%]	98.1		94.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	PEG 3350, pH 7, vapor diffusion, hanging drop, temperature 298K