3GEP

Human hypoxanthine guanine phosphoribosyltranserfase in complex with (S)-9-(3-hydroxy-2-phosphonylmethoxypropyl)guanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-05
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	111.122, 72.590, 51.282
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.630 - 2.600
R-factor	0.24984
Rwork	0.247
R-free	0.29830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z7g
RMSD bond length	0.009
RMSD bond angle	1.269
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.630	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.079	0.179
Number of reflections	13343
<I/σ(I)>	9.3	4.5
Completeness [%]	99.5	99.4
Redundancy	4.5	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M citrate, 10% isopropanol, 29% PEG 4000, 3.9mM (RS)- HPMPG, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K