2XIB

CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH DEOXYFUCONOJIRIMYCIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	54.680, 185.990, 97.630
Unit cell angles	90.00, 94.75, 90.00

Refinement procedure

Resolution	34.750 - 2.200
R-factor	0.18755
Rwork	0.185
R-free	0.23472
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wvv
RMSD bond length	0.012
RMSD bond angle	1.295
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.120	0.600
Number of reflections	98203
<I/σ(I)>	9.4	2.3
Completeness [%]	100.0	100
Redundancy	4.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1