1BHE

POLYGALACTURONASE FROM ERWINIA CAROTOVORA SSP. CAROTOVORA

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-10
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	81.229, 53.033, 103.093
Unit cell angles	90.00, 112.59, 90.00

Refinement procedure

Resolution	12.500 - 1.900
R-factor	0.198 *
Rwork	0.198
R-free	0.23900
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.021
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.038	0.114
Number of reflections	31103
<I/σ(I)>	21	9
Completeness [%]	97.0	95.2 *
Redundancy	3	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5		PROTEIN WAS CRYSTALLIZED FROM 18% PEG 8000, 0.1M SODIUM CACODYLATE, PH 6.5, 0.2M MAGNESIUM ACETATE.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	18 (%)
2	1	reservoir	magnesium acetate	0.2 (M)
3	1	reservoir	sodium cacodylate	0.1 (M)
4	1	drop	protein	5 (mg/ml)