2VRQ

STRUCTURE OF AN INACTIVE MUTANT OF ARABINOFURANOSIDASE FROM THERMOBACILLUS XYLANILYTICUS IN COMPLEX WITH A PENTASACCHARIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	120
Spacegroup name	P 65 2 2
Unit cell lengths	156.800, 156.800, 378.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.400 - 2.000
R-factor	0.182
Rwork	0.182
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.320
Data reduction software	XIA-DPA
Data scaling software	SCALA
Phasing software	CNS
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.330	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.110	0.390
Number of reflections	184568
<I/σ(I)>	5.3	1.6
Completeness [%]	100.0	99.9
Redundancy	11.7	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1