2D20

Crystal structure of michaelis complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2004-04-26
Detector	ADSC QUANTUM 210
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	78.472, 94.111, 139.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.600 - 1.850
R-factor	0.181
Rwork	0.181
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d1z
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Number of reflections	88757
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	disodium hydrogenphosphate, citric acid, ammonium sulfate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K