7LGR

Streptococcus mutans Collagen binding Protein CNM - N2 Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-14
Detector	MARRESEARCH
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	48.553, 48.553, 106.424
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.050 - 1.600
Rwork	0.192
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f6a
RMSD bond length	0.008
RMSD bond angle	1.305
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.050	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.120	2.175
Rmeas	0.126	2.286
Rpim	0.039	0.699
Number of reflections	19890	961
<I/σ(I)>	13.5	1.3
Completeness [%]	99.9	100
Redundancy	10.5	10.7
CC(1/2)	0.999	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293	1.5M ammonium sulfate, 100mM sodium acetate, pH 4.5 or 100mM citric acid, pH 3.5