1N82

The high-resolution crystal structure of IXT6, a thermophilic, intracellular xylanase from G. stearothermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	95
Detector technology	CCD
Collection date	2001-11-11
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1000
Spacegroup name	C 1 2 1
Unit cell lengths	169.481, 80.579, 79.054
Unit cell angles	90.00, 91.89, 90.00

Refinement procedure

Resolution	15.000 - 1.450
Rwork	0.159
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	initial model of Xylanase T-6 (family 10) of Bacillus stearothermophilus.
RMSD bond length	0.012
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	1.480
High resolution limit [Å]	1.450	1.450
Number of reflections	171850
<I/σ(I)>	18.1	1.5
Completeness [%]	91.6	52.3
Redundancy	7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M sodium cacodylate pH=6.5, 1.9M sodium acetate , VAPOR DIFFUSION, HANGING DROP, temperature 293.0K