6YZG

Streptococcal surface adhesin - CshB NR2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	100.393, 100.393, 63.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.990 - 1.400
R-factor	0.183
Rwork	0.183
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l2d
RMSD bond length	0.016
RMSD bond angle	1.960
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.990	1.400
High resolution limit [Å]	1.400	1.400
Rmerge	0.050	0.552
Rmeas	0.057	0.686
Number of reflections	64024	3123
<I/σ(I)>	15.24
Completeness [%]	100.0	99.1
Redundancy	6.7	4.9
CC(1/2)	0.998	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M SPG buffer pH 5, 25% w/v PEG 1500