5UXS

X ray structure of the periplasmic ligand binding protein YfeA from Yersinia pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-26
Detector	RAYONIX MX300-HS
Wavelength(s)	1.28281
Spacegroup name	P 21 21 21
Unit cell lengths	41.736, 52.120, 113.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.577 - 1.421
R-factor	0.1793
Rwork	0.179
R-free	0.19030
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.760
Data reduction software	HKL-2000 (v712)
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.098	0.401
Rpim	0.051	0.213
Number of reflections	47252	2340
<I/σ(I)>	52.8	2.2
Completeness [%]	99.7	99.6
Redundancy	4.6	4.5
CC(1/2)	0.981	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.3	293.15	30-35% PEG 4000, 50mM sodium chloride, 20mM Bis-tris propane, 0.05% w/v sodium azide