1D2F

X-RAY STRUCTURE OF MALY FROM ESCHERICHIA COLI: A PYRIDOXAL-5'-PHOSPHATE-DEPENDENT ENZYME ACTING AS A MODULATOR IN MAL GENE EXPRESSION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1997-09-04
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	57.510, 107.190, 256.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.204
Rwork	0.201
R-free	0.26200
RMSD bond length	0.008 *
RMSD bond angle	1.420 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	MLPHARE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.550
High resolution limit [Å]	2.500	2.500
Rmerge	0.083	0.303
Total number of observations	94388 *
Number of reflections	24839
<I/σ(I)>	11.4
Completeness [%]	94.9	88.7
Redundancy	3.8	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8 *	4 *	AMMONIUM SULPHATE, MES, TRIS, DITHITHREITOL, pH 7.0, VAPOR DIFFUSION, SITTING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	dithiothreitol	3 (mM)
3	1	drop	Tris-HCl	10 (mM)
4	1	drop	PLP	0.020 (mM)
5	1	reservoir	MES/Tris	100 (mM)
6	1	reservoir	ammonium sulfate	1.8 (M)