6MNU

Crystal structure of Yersinia pestis UDP-glucose pyrophosphorylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-05
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	92.190, 99.415, 128.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.709 - 2.172
R-factor	0.1787
Rwork	0.177
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e3d
RMSD bond length	0.008
RMSD bond angle	0.912
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.210
High resolution limit [Å]	2.170	2.170
Rmeas	0.090	0.722
Rpim	0.041	0.343
Number of reflections	61347	3054
<I/σ(I)>	17.1	2.1
Completeness [%]	97.6	99.1
Redundancy	4.6	4.2
CC(1/2)		0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	292	0.1M MES pH 6.0 20% PEG Low Smear (PEG 1000, PEG400, PEG600, PEG MME 500), 10 mM spermidine