4E0E

Crystal structure of a DUF4450 family protein (BT_4147) from Bacteroides thetaiotaomicron VPI-5482 at 2.90 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	2011-12-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97903,0.91837
Spacegroup name	P 1 21 1
Unit cell lengths	35.880, 146.470, 72.370
Unit cell angles	90.00, 99.71, 90.00

Refinement procedure

Resolution	48.823 - 2.900
R-factor	0.1919
Rwork	0.190
R-free	0.22220
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.823	48.823	2.970
High resolution limit [Å]	2.900	12.950	2.900
Rmerge	0.075	0.033	0.569
Rmeas		0.040	0.692
Number of reflections	15744	177	1166
<I/σ(I)>	11.66	34.1	2
Completeness [%]	95.5	88.5	95.9
Redundancy	2.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.67	277	22.00% polyethylene glycol 3000, 0.1M CHES pH 9.67, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K