2B46

Crystal structure of an engineered uninhibited Bacillus subtilis xylanase in substrate bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-03
Detector	MARRESEARCH
Wavelength(s)	0.8000
Spacegroup name	P 61
Unit cell lengths	60.653, 60.653, 95.513
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.700 - 2.215
R-factor	0.17157
Rwork	0.169
R-free	0.19839
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.488
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.700	2.300
High resolution limit [Å]	2.215	2.215
Number of reflections	8893
Completeness [%]	89.8	90.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		20 % (w/v) polyethylene glycol 8000, 0.1 M HEPES buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP