6HNK

The ligand-free, open structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 21 21 21
Unit cell lengths	40.394, 62.254, 146.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.050 - 2.500
R-factor	0.25505
Rwork	0.251
R-free	0.31012
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hni
RMSD bond length	0.009
RMSD bond angle	1.280
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	146.100	2.610
High resolution limit [Å]	2.500	2.500
Rmerge	0.158	0.673
Rmeas	0.177	0.796
Rpim	0.079	0.344
Number of reflections	12793	1285
<I/σ(I)>	6.2	1.9
Completeness [%]	95.9	80.2
Redundancy	8	7.7
CC(1/2)	0.998	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M potassium chloride, 7.5% PEG 6000, 7.5% PEG 8,000, 7.5% PEG 10,000