6Q2L

The structure of the Streptococcus gordonii surface protein SspB in complex with TEV peptide provides clues to the adherence of oral streptococcal adherence to salivary agglutinin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-30
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	60.223, 47.695, 64.652
Unit cell angles	90.00, 113.60, 90.00

Refinement procedure

Resolution	37.150 - 1.800
R-factor	0.197
Rwork	0.195
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q2k
RMSD bond length	0.008
RMSD bond angle	1.299
Data reduction software	HKL-2000 (2.3.8)
Data scaling software	HKL-2000 (2.3.8)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.084	0.419
Rmeas	0.097	0.567
Rpim	0.047	0.380
Number of reflections	31075	1321
<I/σ(I)>	11.8	1.6
Completeness [%]	98.9	83.9
Redundancy	3.3	1.5
CC(1/2)		0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20-25% PEG 8000, 0.1M succinic acid, pH 5.0-5.5, 100mM MgCl2