3F2Z

Crystal structure of the C-terminal domain of a chitobiase (BF3579) from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR260B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-16
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	47.893, 51.684, 63.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.300
R-factor	0.15618
Rwork	0.155
R-free	0.17455
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.068
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (& XtalView & REFMAC 5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.039	0.081
Number of reflections	67612
<I/σ(I)>	43.3	11.54
Completeness [%]	89.2	72.1
Redundancy	5	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil	5	277	Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution: 100 mM NaAcetate (pH 5), 40% PEG 8K, and 100 mM NH4Cl , microbatch under oil, temperature 277K