1IA5

POLYGALACTURONASE FROM ASPERGILLUS ACULEATUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200H
Temperature [K]	288
Detector technology	AREA DETECTOR
Collection date	1999-10-21
Detector	ENRAF-NONIUS FAST
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	104.480, 86.630, 37.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 2.020 *
R-factor	0.165
Rwork	0.171
R-free	0.21300 *
Structure solution method	MIR
RMSD bond length	0.010 *
RMSD bond angle	1.400 *
Data reduction software	MADNESS
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	2.130
High resolution limit [Å]	2.020 *	2.000
Rmerge	0.056	0.132 *
Total number of observations	52967 *
Number of reflections	23026
<I/σ(I)>	11.5
Completeness [%]	90.3 *	72.1 *
Redundancy	2.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	8.5	288	45% 1,6-HEXANEDIOL, 0.1M TRIS-HCL , 0.2M AMMONIUM ACETATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	1,6-hexanediol	45 (%(v/v))
2	1	1	Tris-HCl	0.1 (M)
3	1	1	ammonium acetate	0.2 (M)
4	1	2	protein	10 (mg/ml)