6K2L

Crystal structure of the Siderophore-interacting protein SipS from Aeromonas hydrophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979463
Spacegroup name	C 2 2 21
Unit cell lengths	130.402, 149.991, 55.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.933 - 2.500
R-factor	0.2076
Rwork	0.203
R-free	0.26050
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.071
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.390
High resolution limit [Å]	2.350	2.350
Number of reflections	24604	176
<I/σ(I)>	14.596	2.386
Completeness [%]	99.3	97.7
Redundancy	9.2	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	0.18 M Lithium sulfate monohydrate, 30% (w/v) Polyethylene glycol 4,000 and 0.1 M Tris hydrochloride, pH 8.5