9IFR

CLIPPER domain from the Gram-negative fibrillar adhesin "B9T28_05395

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 63
Unit cell lengths	93.859, 93.859, 21.994
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	81.284 - 1.770
Rwork	0.200
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.544
Data reduction software	xia2.multiplex
Data scaling software	xia2.multiplex
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.285	1.800
High resolution limit [Å]	1.770	1.770
Rpim	0.161	3.626
Number of reflections	11209	547
<I/σ(I)>	5.1	0.4
Completeness [%]	99.9	97.16
Redundancy	38.7	29.5
CC(1/2)	0.993	0.401

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	5 mg/mL protein, sample buffer: 20 mM Tris, 100 mM NaCl, pH 8.0, crystallization buffer: 0.2 M Ammonium Sulphate, 0.2 M Sodium/Potassium Tartrate, pH 5.5, droplet size 4 microL at 1:1 protein:crystal buffer ratio, with 1mL crystallization buffer in reservoir.