1GYH

Structure of D158A Cellvibrio cellulosa alpha-L-arabinanase mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 1
Unit cell lengths	49.556, 79.557, 132.402
Unit cell angles	88.83, 89.58, 83.58

Refinement procedure

Resolution	20.000 - 1.900 *
R-factor	0.147
Rwork	0.147
R-free	0.20000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MAP FROM AN A P6522 CRYSTAL FORM SOLVED BY MAD
RMSD bond length	0.016
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.13)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.066	0.269
Number of reflections	155379
<I/σ(I)>	12.37	3.08
Completeness [%]	97.4	89.8
Redundancy	1.9 *	1.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5		18% PEG5000 MME, 4% AMMONIUM SULFATE, 100MM NA-CACODYLATE PH6.5, 20% GLYCEROL, pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG5000 MME	18 (%(w/v))
2	1	1	ammonium sulfate	4 (%(w/v))
3	1	1	sodium cacodylate	100 (mM)	pH6.5
4	1	1	glycerol	20 (%(v/v))