5VCT

Crystal structure of UTP-glucose-1-phosphate uridylyltransferase from Burkholderia ambifaria

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-16
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	I 2 2 2
Unit cell lengths	63.900, 111.210, 124.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.759 - 1.900
R-factor	0.1698
Rwork	0.168
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j49
RMSD bond length	0.007
RMSD bond angle	0.854
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.759	50.000	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.055	0.038	0.484
Rmeas	0.062	0.043	0.541
Number of reflections	35235	414	2564
<I/σ(I)>	15.81	28.44	3.12
Completeness [%]	99.5	90.4	99.9
Redundancy	5.013	4.292	5.138
CC(1/2)	0.998	0.996	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Optimization screen around RigakuReagents JCSG B9: 100mM Sodium citrate / citric acid pH 5.36, 19.8% PEG 6000, BuamA.00118.a.B1.PS37963 at 45.5 mg/ml, tray 289281 g6: cryo: 25% EG in 2 steps: puck obr5-7.