4R5O

Crystal structure of a Quinonprotein alcohol dehydrogenase-like protein (BT1487) from Bacteroides thetaiotaomicron VPI-5482 at 2.64 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97941,0.97868
Spacegroup name	P 31
Unit cell lengths	155.545, 155.545, 94.635
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.395 - 2.640
R-factor	0.1777
Rwork	0.176
R-free	0.20250
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.230
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.395	29.395	2.740
High resolution limit [Å]	2.640	5.670	2.640
Rmerge	0.052	0.024	0.405
Number of reflections	73803	14311	13665
<I/σ(I)>	11.65	25.9	1.8
Completeness [%]	94.6	93.5	96.5
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.20 M calcium acetate, 40.00% polyethylene glycol 300, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K