5Y4A

Cadmium directed assembly of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.953
Spacegroup name	P 21 21 21
Unit cell lengths	60.216, 77.547, 90.388
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.340
R-factor	0.2004
Rwork	0.198
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.153
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.075	0.053	0.634
Rmeas	0.080	0.057	0.677
Rpim	0.029	0.022	0.235
Total number of observations	143782
Number of reflections	18401	1020	902
<I/σ(I)>	9.7
Completeness [%]	99.8	98.7	100
Redundancy	7.8	6.8	8.2
CC(1/2)		0.996	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	20%(v/v) 1,4-Butanediol, 0.1M MES:NaOH pH 6.0, 0.2M Lithium sulfate with 5mM cadmium chloride and calcium chloride