5Y07

Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis with PRPP.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-02-24
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5403
Spacegroup name	P 1 21 1
Unit cell lengths	48.301, 86.292, 48.553
Unit cell angles	90.00, 105.87, 90.00

Refinement procedure

Resolution	46.700 - 2.070
R-factor	0.189
Rwork	0.186
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mb6
RMSD bond length	0.022
RMSD bond angle	2.276
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.110
High resolution limit [Å]	2.070	5.620	2.070
Rmerge	0.039	0.029	0.141
Rmeas	0.048	0.037	0.176
Rpim	0.028	0.021	0.104
Total number of observations	56729
Number of reflections	22014	1063	877
<I/σ(I)>	16.7
Completeness [%]	94.1	87.5	73
Redundancy	2.6	2.6	2.2
CC(1/2)		0.995	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	30% PEG3350, 0.1M Tris-Hcl pH 8.5, 0.2M Sodium Acetate with 5mM PRPP, Magnesium chloride