6FCH

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.966
Spacegroup name	P 1
Unit cell lengths	47.260, 47.350, 47.440
Unit cell angles	77.02, 69.53, 61.78

Refinement procedure

Resolution	44.330 - 1.450
R-factor	0.1423
Rwork	0.141
R-free	0.17550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5DCI
RMSD bond length	0.007
RMSD bond angle	1.232
Data reduction software	XDS
Data scaling software	Aimless (0.5.12)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.330	44.330	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.039	0.033	0.262
Rpim	0.039	0.033	0.262
Total number of observations	88620	630	4426
Number of reflections	54531
<I/σ(I)>	9.7	34.8	2.1
Completeness [%]	90.8	95	86.9
Redundancy	1.6	1.8	1.7
CC(1/2)	0.998	0.995	0.788

Crystallization Conditions

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