1GXO

Mutant D189A of Family 10 polysaccharide lyase from Cellvibrio cellulosa in complex with trigalaturonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-15
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	105.428, 54.917, 47.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.700 - 2.050
R-factor	0.176
Rwork	0.173
R-free	0.23000 *
Structure solution method	OTHER
RMSD bond length	0.012
RMSD bond angle	1.316
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.08)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.073	0.320
Number of reflections	14154
<I/σ(I)>	13.1	2.1
Completeness [%]	79.2	29.3
Redundancy	3.5	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	291 *	Charnock, S.J., (2001) Acta Crystallogr., D57, 1141. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop	sodium MES		pH5.2
3	1	drop		200 (mM)
4	1	reservoir	PEG2000 MME	20 (%(w/v))