5V0T

Crystal structure of an alpha,alpha-trehalose-phosphate synthase (UDP-forming) from Burkholderia xenovorans in complex with glucose-6-phosphate

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	2016-02-11
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	84.920, 105.950, 135.710
Unit cell angles	91.36, 90.37, 89.97

Refinement procedure

Resolution	50.000 - 1.950
R-factor	0.1555
Rwork	0.155
R-free	0.17770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b14
RMSD bond length	0.007
RMSD bond angle	0.856
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]	50.000	50.000	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.050	0.021	0.422
Rmeas	0.071	0.030	0.597
Number of reflections	329972	3542	24450
<I/σ(I)>	11.68	34.86	1.95
Completeness [%]	95.7	91.8	95.3
Redundancy	1.994	1.951	1.995
CC(1/2)	0.997	0.997	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	MORPHEUS G2 (269140g2): 10% w/v PEG8000, 20% v/v EG, 20mM tartarate, citrate, oxamate, acetate, formate, 100mM MES/imidazole pH 6.5: 2mM UDP, 2mM glucose-6-phosphate, 2mM MgCl2: protein conc 22.24mg/mL: dc: wpj5-2