1JDT

CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH MTA AND SULFATE ION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9023
Spacegroup name	C 2 2 21
Unit cell lengths	101.600, 176.300, 87.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.222 *
Rwork	0.222
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	native SsMTAP
RMSD bond length	0.006
RMSD bond angle	1.257
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.000	2.000
Rmerge	0.074	0.487
Total number of observations	213837 *
Number of reflections	50489
<I/σ(I)>	7.1	1.5
Completeness [%]	95.2	72 *
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	291	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7-10 (mg/ml)
2	1	reservoir	dioxane	28-30 (%)
3	1	reservoir	MPD	12 (%)
4	1	reservoir		0.12 (M)
5	1	reservoir		0.04 (M)
6	1	reservoir	Tris-HCl	0.1 (M)