1K5C

Endopolygalacturonase I from Stereum purpureum at 0.96 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	1999-12-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.7
Spacegroup name	P 1
Unit cell lengths	46.396, 52.023, 37.344
Unit cell angles	72.50, 68.93, 69.24

Refinement procedure

Resolution	10.000 - 0.960
R-factor	0.115
Rwork	0.114
R-free	0.14000 *
Structure solution method	MAD
RMSD bond length	0.019 *
RMSD bond angle	0.032
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.500	1.010
High resolution limit [Å]	0.960	0.960
Rmerge	0.037 *	0.206 *
Total number of observations	1186116 *
Number of reflections	171534
<I/σ(I)>	5.6	3.5
Completeness [%]	94.0	89.4
Redundancy	6.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	PEG 4000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K