7XLZ

Structure of siderophore-interacting protein from Vibrio anguillarum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	P 1 21 1
Unit cell lengths	64.622, 58.466, 70.650
Unit cell angles	90.00, 114.18, 90.00

Refinement procedure

Resolution	58.951 - 1.190
R-factor	0.139
Rwork	0.138
R-free	0.16150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gpj
RMSD bond length	0.008
RMSD bond angle	1.032
Data reduction software	XDS (Jan 10, 2022, built on 20220220)
Data scaling software	Aimless (version 0.5.29)
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.951	1.194
High resolution limit [Å]	1.190	1.190
Rmeas	0.055	0.528
Rpim	0.021	0.210
Number of reflections	147256	1171
<I/σ(I)>	20.2	3.3
Completeness [%]	95.8	74.6
Redundancy	6.7	6.1
CC(1/2)	0.999	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	The crystal of VaSIP was grown in the drop containing 1.4 ul protein solution (60 mg/ml in 10 mM Hepes, 150 mM NaCl, pH 7.5, 1 mM DTT) and 1.4 ul reservoir solution (0.1 M KBr, 30% (W/V) mPEG 2000).