3JUJ

The crystal structure of apo- UDP-glucose pyrophosphorylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-04
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	91.466, 98.614, 245.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.900
Rwork	0.225
R-free	0.25400
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.493
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	47890
<I/σ(I)>	19.4
Completeness [%]	95.5	94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	0.1M sodium acetate trihydrate, 2M ammonium sulfate, 0.1M guanidine HCl, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	0.1M sodium acetate trihydrate, 2M ammonium sulfate, 0.1M guanidine HCl, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K