1R85

Crystal structure of the extracellular xylanase from Geobacillus stearothermophilus T-6 (XT6): The WT enzyme (monoclinic form) at 1.45A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	95
Detector technology	CCD
Collection date	2001-02-19
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00923, 1.01
Spacegroup name	C 1 2 1
Unit cell lengths	121.510, 61.710, 89.090
Unit cell angles	90.00, 119.07, 90.00

Refinement procedure

Resolution	40.000 - 1.450
R-factor	0.1264
R-free	0.18080
Structure solution method	AB INITIO PHASING
Starting model (for MR)	xylanase T-6 in hexagonal crystal form at 2.4A resolution
RMSD bond length	0.011
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.070	0.468
Number of reflections	383803
<I/σ(I)>	10.3
Completeness [%]	94.1	49
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	25% PEG 550 mme, Mes pH 6.5, 10mM ZnSO4, 5% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	25% PEG 550 mme, Mes pH 6.5, 10mM ZnSO4, 5% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293K