2H31

Crystal structure of human PAICS, a bifunctional carboxylase and synthetase in purine biosynthesis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9780, 0.9796, 0.9643
Spacegroup name	P 4 2 2
Unit cell lengths	133.666, 133.666, 60.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.245
Rwork	0.241
R-free	0.28700
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.534
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	14136
Completeness [%]	100.0	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	1.0M succinic acid pH 7.0, 0.1M hepes pH 7.0, 0.5%(w/v) PEG1500, VAPOR DIFFUSION, HANGING DROP, temperature 291K