6FCI

Crystal Structure of Human APRT wild type in complex with Adenine, 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	2013-04-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9762
Spacegroup name	P 1
Unit cell lengths	49.710, 49.790, 71.490
Unit cell angles	90.05, 93.48, 101.91

Refinement procedure

Resolution	71.350 - 1.940
R-factor	0.1984
Rwork	0.196
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5HND
RMSD bond length	0.003
RMSD bond angle	0.873
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]	71.351	41.351	2.040
High resolution limit [Å]	1.940	6.130	1.940
Rmerge		0.098	0.168
Rmeas	0.132	0.116	0.206
Rpim	0.075	0.061	0.117
Total number of observations	124409	4642	16595
Number of reflections	45067
<I/σ(I)>	6.7	9.5	4.3
Completeness [%]	90.9	94.6	85.1
Redundancy	2.8	3.1	2.7

Crystallization Conditions

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