1CG6

STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH 5'-DEOXY-5'-METHYLTHIOADENOSINE AND SULFATE AT 1.7 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	93
Detector technology	CCD
Collection date	1997-07-15
Detector	ADSC QUANTUM 4
Spacegroup name	P 3 2 1
Unit cell lengths	122.830, 122.830, 45.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 1.700
R-factor	0.202 *
Rwork	0.202
R-free	0.22500
Structure solution method	OTHER
RMSD bond length	0.008
RMSD bond angle	24.000 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.053 *	0.106 *
Total number of observations	393633 *
Number of reflections	42292
<I/σ(I)>	9.4	6.5
Completeness [%]	96.8	93.2
Redundancy	6.9	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *		12% (W/V) PEG 6000, 25% (V/V) ETHYLENE GLYCOL, 0.2M TRIS-HCL PH 7.8, 0.002M DTT, pH 7.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG8000	10 (%)
2	1	drop	HEPES	0.1 (M)
3	1	drop	ethylene glycol	8 (%)
4	1	reservoir	PEG6000	12 (%(w/v))
5	1	reservoir	ethylene glycol	25 (%(v/v))
6	1	reservoir	Tris-HCl	200 (mM)
7	1	reservoir	dithiothreitol	2 (mM)