4YZX

C. bescii Family 3 pectate lyase double mutant K108A/D107N in complex with trigalacturonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.983970
Spacegroup name	C 1 2 1
Unit cell lengths	138.334, 36.352, 100.106
Unit cell angles	90.00, 132.67, 90.00

Refinement procedure

Resolution	34.580 - 1.250
R-factor	0.112
Rwork	0.110
R-free	0.15600
RMSD bond length	0.020
RMSD bond angle	2.043
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.580	1.270
High resolution limit [Å]	1.250	1.250
Number of reflections	91778
<I/σ(I)>	15.5	1.9
Completeness [%]	95.1	93.1
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M Tris pH 8 and 61% MPD