3CLO

Crystal structure of putative transcriptional regulator containing a LuxR DNA binding domain (NP_811094.1) from Bacteroides thetaiotaomicron VPI-5482 at 2.04 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97964
Spacegroup name	H 3 2
Unit cell lengths	233.650, 233.650, 125.273
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.450 - 2.040
R-factor	0.189
Rwork	0.187
R-free	0.21700
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.301
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.450	48.450	2.110
High resolution limit [Å]	2.040	4.380	2.040
Rmerge	0.095	0.052	0.998
Number of reflections	82770	8555	7915
<I/σ(I)>	10.2	24.8	1.83
Completeness [%]	100.0	99.8	100
Redundancy	5.63		5.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	NANODROP, 4.3M NaCl, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K