6HGP

Crystal Structure of Human APRT wild type in complex with Phosphate ion.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 1
Unit cell lengths	47.410, 47.600, 47.660
Unit cell angles	77.07, 69.39, 61.69

Refinement procedure

Resolution	44.500 - 1.700
R-factor	0.1835
Rwork	0.182
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fch
RMSD bond length	0.007
RMSD bond angle	1.083
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.500	44.500	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.070	0.040	0.336
Number of reflections	35712
<I/σ(I)>	6.1	12.2	1.7
Completeness [%]	94.8	97.3	94.2
Redundancy	2.2	2.2	2.2
CC(1/2)	0.986

Crystallization Conditions

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