2EWE

Crystal structure of Pectate Lyase C R218K mutant in complex with pentagalacturonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	1996-12-12
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	P 21 21 21
Unit cell lengths	72.140, 78.320, 94.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.200
Rwork	0.186
R-free	0.23300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	pectate lyase C PDB entry 1AIR with arg 218 omitted
RMSD bond length	0.001
RMSD bond angle	1.540
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	23.760
High resolution limit [Å]	2.150
Number of reflections	28523
<I/σ(I)>	11.8
Completeness [%]	95.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	277	Grown in 1.0 M ammonium sulfate, 50 mM HEPES. VAPOR DIFFUSION, SITTING DROP, temperature 277K. Crystals then transferred to a solution at pH 9.5 containing cryogenic agents, 7 mM calcium and 50mM penta-galacturonopyranose, and left to soak for 30 hours.