4JQT

Crystal structure of a putative glycosyl hydrolase (BT3469) from Bacteroides thetaiotaomicron VPI-5482 at 2.49 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918401,0.979485,0.979268
Spacegroup name	P 21 21 21
Unit cell lengths	85.554, 87.648, 141.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.216 - 2.490
R-factor	0.1695
Rwork	0.167
R-free	0.21390
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.216		2.580
High resolution limit [Å]	2.490	5.330	2.490
Rmerge	0.113	0.037	0.567
Number of reflections	37924	7135	7022
<I/σ(I)>	9.7	21.9	1.9
Completeness [%]	97.5	96.7	96.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	35.0% 2-ethoxyethanol, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K