4HO8

Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with UDP-glucose and thymidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	110
Detector technology	CCD
Collection date	2011-08-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	71.016, 91.250, 91.233
Unit cell angles	90.00, 90.13, 90.00

Refinement procedure

Resolution	30.000 - 2.600
R-factor	0.1882
Rwork	0.185
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h5r
RMSD bond length	0.017
RMSD bond angle	1.266
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.690
High resolution limit [Å]	2.600	5.590	2.600
Rmerge	0.045	0.023	0.404
Number of reflections	35282
<I/σ(I)>	15
Completeness [%]	98.7	94.8	98.8
Redundancy	3.2	3.1	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M sodium cacodylate, 1.8M lithium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K