5UBI

Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound PRPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	80
Detector technology	CCD
Collection date	2014-05-04
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.959
Spacegroup name	P 21 21 21
Unit cell lengths	66.003, 79.690, 91.119
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.560 - 2.140
R-factor	0.2131
Rwork	0.209
R-free	0.28334
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	single chain of 5UB9
RMSD bond length	0.012
RMSD bond angle	1.504
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.096	0.800
Number of reflections	28897
<I/σ(I)>	27.3	3.7
Completeness [%]	99.9	98.5
Redundancy	14.6	14.4
CC(1/2)	0.999	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293.15	0.1 M sodium acetate pH 5.0, 0.01 M ZnCl2, 7-10% PEG 6000 formed crystals were soaked with 3 mM PRPP for 30-60 min