7K1U

Crystal Structure of SrtB-anchored Collagen-binding Adhesin Fragment (residues 206-565) from Clostridioides difficile strain 630

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-05-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	69.323, 69.323, 187.527
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.640 - 2.400
R-factor	0.1759
Rwork	0.174
R-free	0.21730
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.426
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.090	0.834
Rmeas	0.096	0.896
Rpim	0.036	0.326
Number of reflections	21161	1018
<I/σ(I)>	22	1.8
Completeness [%]	100.0	100
Redundancy	7.2	7.4
CC(1/2)	0.997	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	Protein: 9.3 mg/ml 0.5M Sodium chloride, 0.01M Tris pH 8.3; Screen: Classics II (G7), 0.2M Ammonium acetate, 0.1M Bis-Tris pH 6.5, 25% (w/v) PEG 3350