5BRN

Human HGPRT in complex with (S)-HPEPHx, an acyclic nucleoside phosphonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-12
Detector	ADSC QUANTUM 270
Wavelength(s)	0.95369
Spacegroup name	P 21 21 21
Unit cell lengths	64.530, 94.310, 139.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.332 - 2.300
R-factor	0.2418
Rwork	0.239
R-free	0.29190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ijq
RMSD bond length	0.002
RMSD bond angle	0.708
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	53.300
High resolution limit [Å]	2.300
Rmerge	0.065
Number of reflections	37163
<I/σ(I)>	12.9
Completeness [%]	90.4
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	291	20% PEG3000, 0.2 M calcium acetate, 0.1 M Tris-HCl pH 7.4