1SD1

STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH FORMYCIN A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-07-03
Detector	MAR CCD 165 mm
Wavelength(s)	1.00
Spacegroup name	P 3 2 1
Unit cell lengths	121.000, 121.000, 44.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.030
R-factor	0.18
Rwork	0.180
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.030	2.030
Rmerge	0.048	0.053
Number of reflections	25569
<I/σ(I)>	36
Completeness [%]	99.9	99.5
Redundancy	6.9	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	12% (W/V) PEG 6000, 25%(V/V) ETHYLENE GLYCOL, 0.2M Tris-HCL, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K