7TE5

Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK from Yersinia pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97921
Spacegroup name	P 31
Unit cell lengths	66.442, 66.442, 122.546
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.310 - 1.850
R-factor	0.1747
Rwork	0.167
R-free	0.20690
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.734
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.092	0.553
Number of reflections	50165	1995
<I/σ(I)>	18.2
Completeness [%]	97.5	77.6
Redundancy	2.9	2.9
CC(1/2)		0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	0.1 M tri-sodium citrate pH 5.6, 10 %(w/v) PEG4000, 10 %(w/v) isopropanol