6D9Q

The sulfate-bound crystal structure of HPRT (hypoxanthine phosphoribosyltransferase)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 31 2 1
Unit cell lengths	82.597, 82.597, 242.416
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.299 - 2.056
R-factor	0.1838
Rwork	0.183
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h83
RMSD bond length	0.002
RMSD bond angle	0.569
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.130
High resolution limit [Å]	2.056	2.056
Rmeas	0.124	0.888
Rpim	0.037
Number of reflections	60325	5683
<I/σ(I)>	24.8	1.74
Completeness [%]	99.2	94.8
Redundancy	10.8	6.4
CC(1/2)		0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.01 M cobalt [II] chloride hexahydrate, 0.1 M MES monohydrate, pH 6.5, 1.8 M ammonium sulfate