4OZO

Crystal structure of an a-L-fucosidase GH29 from Bacteroides thetaiotaomicron (BT2192) in complex with oNPTG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	I 21 21 21
Unit cell lengths	125.300, 122.170, 159.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 - 2.600
R-factor	0.1681
Rwork	0.165
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eyp
RMSD bond length	0.007
RMSD bond angle	1.072
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.000		2.700
High resolution limit [Å]	2.600	7.000	2.600
Rmerge	0.128	0.041	0.662
Rmeas	0.138	0.044	0.713
Total number of observations	281551
Number of reflections	38008	2075	4034
<I/σ(I)>	13.76	32.12	3.59
Completeness [%]	100.0	99.5	99.9
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.5 M ammonium citrate, soaking with 250 mM ligand