2AFC

X-Ray Crystal Structure of Protein Q8A8B0 from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium Target BtR9.

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	2005-06-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97908
Spacegroup name	C 1 2 1
Unit cell lengths	128.439, 36.443, 84.028
Unit cell angles	90.00, 129.03, 90.00

Refinement procedure

Resolution	27.610 - 2.500
R-factor	0.215
Rwork	0.215
R-free	0.28800
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
<I/σ(I)>	36.3	25.5
Completeness [%]	92.4	96.5
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	291	35% PEG3350, 0.1M MES, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K