5GQD

Crystal structure of covalent glycosyl-enzyme intermediate of xylanase mutant (T82A, N127S, and E128H) 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]	173
Detector technology	CCD
Collection date	2005-02-05
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	78.186, 94.045, 140.078
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.090 - 1.800
R-factor	0.175
Rwork	0.175
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d1z
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.063	0.286
Number of reflections	94763
<I/σ(I)>	32.6	6.1
Completeness [%]	98.4	97
Redundancy	7.3	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	293	25% ammonium sulfate 2% Mcllvaine buffer