5IFY

Crystal structure of Glucose-1-phosphate thymidylyltransferase from Burkholderia vietnamiensis in complex with 2 -Deoxyuridine-5'-monophosphate and 2'-Deoxy-Thymidine-B-L-Rhamnose

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	2015-12-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 21 21 2
Unit cell lengths	109.600, 254.720, 82.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.197 - 2.250
R-factor	0.1576
Rwork	0.157
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fxo chain A
RMSD bond length	0.009
RMSD bond angle	0.995
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (dev_2328)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.197	46.197	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.075	0.035	0.484
Number of reflections	109242
<I/σ(I)>	14.52	33.81	3.07
Completeness [%]	99.5	92.3	99.9
Redundancy			5
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	MCSG1 b8: 25.5% PEG 4000, 15% Glycerol, 170mM NaOAc, 100mM Tris base/HCl pH 8.5 BuviA.00118.a.B1.PS02510 (21mg/ml) + 4mM each Glucose-1-phosphate, dUTP (neither of which is bound); cryo: direct; tray 267382b8, puck zto7-1