7TWE

Crystal Structure of the Putative Oxidoreductase of DUF1479-containing Protein Family YPO2976 from Yersinia pestis Bound to 2-oxo-glutaric acid

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	2017-10-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97926
Spacegroup name	P 1 21 1
Unit cell lengths	54.426, 54.054, 148.290
Unit cell angles	90.00, 92.97, 90.00

Refinement procedure

Resolution	38.330 - 2.410
R-factor	0.1999
Rwork	0.198
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 4RGK
RMSD bond length	0.002
RMSD bond angle	0.409
Data reduction software	HKL-3000
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	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.117	0.420
Rmeas	0.140	0.553
Rpim	0.076	0.355
Number of reflections	32217	1204
<I/σ(I)>	9.8	1.36
Completeness [%]	96.0	72.6
Redundancy	2.9	1.8
CC(1/2)		0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.2 M Sodium Chloride, 0.1 M TrisHCl pH 8.5, 25 % (w/v) PEG 3350