3IBS

Crystal structure of conserved hypothetical protein BatB from Bacteroides thetaiotaomicron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	110
Detector technology	CCD
Collection date	2009-04-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	65.299, 68.561, 106.568
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.540 - 2.100
R-factor	0.18438
Rwork	0.182
R-free	0.21941
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.267
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELXD
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.100	2.100
Rmerge	0.050	0.564
Number of reflections	28404
<I/σ(I)>	43.5	4.2
Completeness [%]	99.9	100
Redundancy	8.7	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	297	0.16 M magnesium chloride, 0.08 M Tris HCl pH 8.5, 24% PEG 4000, 20% Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 297K