6YO6

Structure of iC3b1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-23
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.87313
Spacegroup name	P 1
Unit cell lengths	87.450, 100.600, 136.280
Unit cell angles	94.23, 108.12, 113.81

Refinement procedure

Resolution	47.592 - 6.000
R-factor	0.2434
Rwork	0.241
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ehg
RMSD bond length	0.035
RMSD bond angle	1.117
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_2614)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.592	47.592	6.160
High resolution limit [Å]	6.000	26.830	6.000
Rmerge	0.152	0.037	0.990
Rmeas	0.182	0.044	1.190
Total number of observations	30364
Number of reflections	9685	92	729
<I/σ(I)>	5.24	18.9	0.95
Completeness [%]	98.2	83.6	99
Redundancy	3.135	2.913	3.111
CC(1/2)	0.993	0.996	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	96 mM Bis-TRIS Propane pH 8.5, 4 mM Bis-TRIS Propane pH 7, 6.5 % (w/v) PEG 20.000