6HGQ

Crystal Structure of Human APRT wild type in complex with Hypoxanthine, PRPP and Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.966
Spacegroup name	P 1
Unit cell lengths	49.060, 49.800, 71.810
Unit cell angles	90.08, 93.22, 102.31

Refinement procedure

Resolution	71.690 - 1.900
R-factor	0.1773
Rwork	0.175
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fch
RMSD bond length	0.005
RMSD bond angle	1.142
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.690	40.907	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.042	0.156
Rmeas	0.092
Rpim	0.054
Total number of observations	112869
Number of reflections	47031
<I/σ(I)>	8.6	13.7	4.4
Completeness [%]	90.0	85.8	84
Redundancy	2.4	2.6	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	NaOAc, PEG4000, Glycerol, Tris