6V3P

The BIgI domain of beta protein from S. agalactiae bound to CEACAM1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	I 41 2 2
Unit cell lengths	131.616, 131.616, 257.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.950 - 3.250
R-factor	0.2194
Rwork	0.218
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gk2
RMSD bond length	0.004
RMSD bond angle	1.422
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.920	3.510
High resolution limit [Å]	3.250	3.250
Rmerge	0.078	1.411
Rmeas	0.082	1.481
Rpim	0.025	0.445
Total number of observations	194550
Number of reflections	18198	3672
<I/σ(I)>	18.2
Completeness [%]	99.8	99.8
Redundancy	10.7	10.9
CC(1/2)	0.999	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	1.7M Ammonium Sulfate, 0.1M Sodium Citrate, pH 5.5