5TW9

1.50 Angstrom Crystal Structure of C-terminal Fragment (residues 322-384) of Iron Uptake System Component EfeO from Yersinia pestis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-28
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	34.037, 64.001, 173.151
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.610 - 1.500
R-factor	0.17442
Rwork	0.173
R-free	0.20250
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.278
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.067	0.660
Number of reflections	62217
<I/σ(I)>	43.4	3.8
Completeness [%]	100.0	100
Redundancy	7.2	7.2
CC(1/2)		0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	295	Protein: 14.1 mg/ml, 0.01M Tris HCl (pH 8.3); Screen: PACT (E3), 0.2M Sodium iodide, 20% (w/v) PEG 3350