3V4S

Crystal Structure of ADP-ATP complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	57.744, 82.870, 167.928
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.960 - 2.020
R-factor	0.174
Rwork	0.172
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.264
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	19.960
High resolution limit [Å]	2.020
Number of reflections	51477
Completeness [%]	96.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	298	0.1M MES, 5mM DTT, 11% glycerol, 10% PEG6000, 10mM MgCl2, 17 mM NaHCO3, 17 mM ATP, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K