7QLR

Receptor-binding protein of Clostridium difficile phage CDHS-1

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	2018-07-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 2 21 21
Unit cell lengths	114.990, 178.206, 227.621
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	102.640 - 2.462
R-factor	0.1964
Rwork	0.195
R-free	0.21860
Structure solution method	SAD
Data reduction software	autoPROC
Data scaling software	xia2
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	113.810	2.741
High resolution limit [Å]	2.462	2.462
Rmerge	0.259	1.772
Rpim	0.074	0.498
Number of reflections	117323	6094
<I/σ(I)>	7.7
Completeness [%]	95.8
Redundancy	6.8
CC(1/2)	0.994	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	.1M HEPES pH 7, containing 0.05M ammonium acetate, 0.15M magnesium sulphate heptahydrate, 12% PEG smear medium, and 4% acetone