8BEG

Structure of Ig-like domains from PrgB

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	2015-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.975
Spacegroup name	P 21 21 21
Unit cell lengths	76.000, 87.500, 224.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.290 - 1.840
R-factor	0.2108
Rwork	0.209
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold model
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.290	47.290	1.900
High resolution limit [Å]	1.790	5.350	1.790
Rmerge	0.071	0.030	1.839
Rmeas	0.077	0.032	1.998
Total number of observations	915892
Number of reflections	139448	5708	20991
<I/σ(I)>	12.43	47.67	0.77
Completeness [%]	98.6	99.4	92.5
Redundancy	6.568	6.173	6.434
CC(1/2)	0.999	0.999	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	CaCl2, PEG3350