6FD6

Crystal Structure of Human APRT-Tyr105Phe variant in complex with Adenine, PRPP and Mg2+, 30 days post crystallization (with AMP and PPi products fully generated)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	47.170, 47.790, 47.920
Unit cell angles	76.93, 61.50, 69.41

Refinement procedure

Resolution	44.620 - 1.800
R-factor	0.1528
Rwork	0.151
R-free	0.18280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5LN6
RMSD bond length	0.007
RMSD bond angle	1.382
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.620	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.126	0.586
Number of reflections	29551
<I/σ(I)>	9.7
Completeness [%]	92.8	93.2
Redundancy	3.8	3.9
CC(1/2)	0.982	0.823

Crystallization Conditions

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