4ID2

Crystal structure of a DUF4738 family protein (BACOVA_05496) from Bacteroides ovatus ATCC 8483 at 2.15 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	2012-10-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918401, 0.979485, 0.979268
Spacegroup name	C 1 2 1
Unit cell lengths	67.254, 74.421, 71.206
Unit cell angles	90.00, 117.31, 90.00

Refinement procedure

Resolution	24.947 - 2.150
R-factor	0.2086
Rwork	0.207
R-free	0.23320
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.000
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]	24.947		2.230
High resolution limit [Å]	2.150	4.610	2.150
Rmerge	0.048	0.018	0.766
Number of reflections	16940	3324	3127
<I/σ(I)>	10.01	31.2	1.2
Completeness [%]	96.5	96.8	89.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.0 M ammonium sulfate, 0.01 M TCEP Hydrochloride, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K