2VRK

Structure of a seleno-methionyl derivative of wild type arabinofuranosidase from Thermobacillus xylanilyticus

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	158.000, 158.000, 380.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.500 - 2.200
R-factor	0.166
Rwork	0.165
R-free	0.18600
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.008
RMSD bond angle	1.102
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	HKL2MAP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.470	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.130	0.460
Number of reflections	188045
<I/σ(I)>	5.1	1.6
Completeness [%]	99.8	99.7
Redundancy	10.7	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1