5XCB

X-ray structure of domains D1 and D2 of Clostridium perfringens pili protein CppA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-11-02
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	C 2 2 2
Unit cell lengths	90.400, 141.330, 61.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.760 - 2.140
R-factor	0.21325
Rwork	0.211
R-free	0.25123
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.085
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.760	2.200
High resolution limit [Å]	2.140	2.140
Rmerge	0.052	0.487
Number of reflections	22094
<I/σ(I)>	22.86	4.01
Completeness [%]	99.7	99.8
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.06M Magnesium chloride hexahydrate, 0.06M Calcium chloride dihydrate, 0.1M Tris (base), 0.1M BICINE, 20% v/v PEG 500* MME, 10 % w/v PEG 20000