1DU5

THE CRYSTAL STRUCTURE OF ZEAMATIN.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-20
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1993-05-04
Detector	SDMS
Spacegroup name	P 1 21 1
Unit cell lengths	69.490, 56.720, 47.720
Unit cell angles	90.00, 105.00, 90.00

Refinement procedure

Resolution	5.000 - 2.500
R-factor	0.176
Rwork	0.167
R-free	0.25800
RMSD bond length	0.012
RMSD bond angle	26.950 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.690
High resolution limit [Å]	2.500	2.500
Rmerge	0.085	0.152
Number of reflections	12219
<I/σ(I)>	19.8
Completeness [%]	97.2	93.2
Redundancy	6.4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	298	PEG 8000, potassium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20 (%)
2	1	reservoir	potassium phosphate	0.2 (M)