2A2O

CRYSTAL STRUCTURE OF a putativeTenA family transcriptional regulator (BT_3146) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 2.16 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	2005-04-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97934, 0.89194
Spacegroup name	P 63 2 2
Unit cell lengths	201.238, 201.238, 291.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.850 - 2.160
Rwork	0.145
R-free	0.17300
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.427
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.850	48.850	2.280
High resolution limit [Å]	2.160	6.830	2.160
Rmerge	0.090	0.036	0.430
Number of reflections	175804
<I/σ(I)>	6.9	16.8	1.8
Completeness [%]	95.6
Redundancy	7.3	7.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	5	273	1.0M LiCl, 10.0% PEG-6000, 0.1M Citrate pH5.0 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 273K