3VPL

Crystal structure of a 2-fluoroxylotriosyl complex of the Vibrio sp. AX-4 Beta-1,3-xylanase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2011-02-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	52.343, 75.437, 81.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.610 - 1.200
R-factor	0.14156
Rwork	0.141
R-free	0.15607
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ddx
RMSD bond length	0.028
RMSD bond angle	2.434
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.220
High resolution limit [Å]	1.200	3.260	1.200
Rmerge	0.044	0.024	0.257
Number of reflections	98695
<I/σ(I)>	14.1
Completeness [%]	97.1	97.3	94.6
Redundancy	7.3	6.9	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1.0M sodium citrate, 0.1M MES, pH 6.5, vapor diffusion, hanging drop, temperature 293K