9Y9W

Vibrio cholerae protein FrhA peptid-binding domain and adjacent split domain (S1127-F1439) in complex with peptide AGWTD X-ray crystallography structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	80
Detector technology	CCD
Collection date	2020-03-04
Detector	RAYONIX MX300HE
Wavelength(s)	0.98400
Spacegroup name	P 1
Unit cell lengths	61.273, 118.726, 118.706
Unit cell angles	60.03, 85.62, 76.70

Refinement procedure

Resolution	102.720 - 2.400
R-factor	0.227
Rwork	0.227
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.275
Data reduction software	xia2 (3.21.1)
Data scaling software	DIALS (3.21)
Phasing software	PHENIX (1.21.2-5419)
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.740	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.196	1.061
Rmeas	0.212
Number of reflections	182986	6929
<I/σ(I)>	1.41	0.6
Completeness [%]	98.6
Redundancy	7
CC(1/2)	0.991	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	9	293	0.16 M calcium acetate, 0.08 M sodium cacodylate, and 24.4% (w/v) PEG 8000. Ethylene glycol was used as a cryoprotectant.