3CUC

CRYSTAL STRUCTURE OF A FIC DOMAIN CONTAINING SIGNALING PROTEIN (BT_2513) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 2.71 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	CCD
Collection date	2008-03-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97954, 0.97882
Spacegroup name	P 31 2 1
Unit cell lengths	138.725, 138.725, 120.723
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.273 - 2.710
R-factor	0.224
Rwork	0.222
R-free	0.24800
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.021
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.273	29.273	2.780
High resolution limit [Å]	2.710	12.120	2.710
Rmerge	0.155	0.052	0.970
Total number of observations		2097	15415
Number of reflections	36830
<I/σ(I)>	4.6	8.8	0.8
Completeness [%]	99.9	93.2	100
Redundancy	5.6	4.8	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	NANODROP, 15.1% 2-methyl-2,4-pentanediol, 0.1M MES pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K