9YBQ

Vibrio cholerae protein FrhA peptid-binding domain and adjacent split domain (S1127-F1439) in complex with peptide AGYTD 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)	0.97949
Spacegroup name	P 1
Unit cell lengths	61.394, 118.717, 118.728
Unit cell angles	60.05, 76.45, 81.42

Refinement procedure

Resolution	59.180 - 2.500
R-factor	0.248
Rwork	0.248
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.704
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]	59.640	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.212	0.593
Rmeas	0.252	0.718
Rpim	0.135	0.396
Number of reflections	140116	6838
<I/σ(I)>	3.4	0.8
Completeness [%]	98.1	95.7
Redundancy	3.4	3.2
CC(1/2)	0.904	0.159

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.