2EBS

Crystal Structure Anaalysis of Oligoxyloglucan reducing-end-specific cellobiohydrolase (OXG-RCBH) D465N Mutant Complexed with a Xyloglucan Heptasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-14
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	60.970, 147.515, 212.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.16164
Rwork	0.159
R-free	0.21925
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sqj
RMSD bond length	0.013
RMSD bond angle	1.465
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.091	0.309
Number of reflections	72255
<I/σ(I)>	21.5	6.1
Completeness [%]	95.1	82.7
Redundancy	10	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	293	100mM MES pH5.2-5.3, 5-6% (w/v) PEG 3000, 40% (w/v) PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 293K