1KCD

Endopolygalacturonase I from Stereum purpureum complexed with two galacturonate at 1.15 A resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	90
Detector technology	CCD
Collection date	2001-09-27
Detector	MAR CCD 165 mm
Wavelength(s)	0.6
Spacegroup name	P 1
Unit cell lengths	46.500, 52.070, 37.230
Unit cell angles	72.39, 69.50, 70.54

Refinement procedure

Resolution	10.000 - 1.150
R-factor	0.126 *
Rwork	0.126
R-free	0.16400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k5c
RMSD bond length	0.014
RMSD bond angle	0.030
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.100	1.210
High resolution limit [Å]	1.150	1.150
Rmerge	0.071 *	0.251 *
Total number of observations	230114 *
Number of reflections	104270
<I/σ(I)>	6.5	2.8
Completeness [%]	97.3	96.2
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	Shimizu, T., (2001) Acta Crystallogr., Sect.D, 57, 1171. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium acetate	50 (mM)	pH5.0
2	1	drop	protein	10 (mg/ml)
3	1	reservoir	sodium acetate	50 (mM)	pH5.0
4	1	reservoir		0.2 (M)
5	1	reservoir	PEG4000	12-17.5 (%)