5I1F

Crystal structure of UTP-glucose-1-phosphate uridylyltransferase from Burkholderia vietnamiensis in complex with Uridine-5'-diphosphate-glucose

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	2015-12-10
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 62 2 2
Unit cell lengths	84.900, 84.900, 252.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.150
R-factor	0.1741
Rwork	0.172
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ux8 chain A
RMSD bond length	0.007
RMSD bond angle	0.889
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.090	0.039	0.542
Number of reflections	30405
<I/σ(I)>	12.87	23.42	3.56
Completeness [%]	99.9	93.5	100
Redundancy	6.8		7.3
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	MCSG1 screen A4: 2500mM NaCl, 200mM MgCl2, 100mM Tris base/HCl pH 7.0; BuviA.00118.e.B1.PS02498 at 27.5mg/ml + 4mM Glucose-1-phosphate + 4mM UTP + 4mM MgCl2; ; tray: 267283a4, puck sbq8-1, cryo: 20% EG