1D6N

TERNARY COMPLEX STRUCTURE OF HUMAN HGPRTASE, PRPP, MG2+, AND THE INHIBITOR HPP REVEALS THE INVOLVEMENT OF THE FLEXIBLE LOOP IN SUBSTRATE BINDING

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	P 21 21 2
Unit cell lengths	129.560, 65.850, 51.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.174
Rwork	0.174
R-free	0.27800
RMSD bond length	0.020 *
RMSD bond angle	2.500 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	X-PLOR
Refinement software	TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.700
Rmerge	0.112 *
Number of reflections	9320
Completeness [%]	76.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.3 (mg/ml)
2	1	drop	HPP	1.4 (mM)
3	1	drop	PRPP	1.4 (mM)
4	1	drop		1.4 (mM)
5	1	drop	HEPES	43 (mM)
6	1	drop	PEG4000	13 (%)
7	1	reservoir	HEPES	100 (mM)
8	1	reservoir	PEG4000	30 (%)