4OUE

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

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	125.680, 122.080, 159.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.997 - 2.350
R-factor	0.1572
Rwork	0.155
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.018
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.500	49.500	2.450
High resolution limit [Å]	2.350	10.000	2.350
Rmerge	0.097	0.032	0.584
Number of reflections	51368	744	5963
<I/σ(I)>	17.72	41.38	4.43
Completeness [%]	100.0	98.7	100

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, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K