3DSM

Crystal structure of the surface layer protein BACUNI_02894 from Bacteroides uniformis, Northeast Structural Genomics Consortium Target BtR193D.

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	2008-07-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97909
Spacegroup name	P 21 21 21
Unit cell lengths	53.731, 68.328, 87.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.470 - 1.900
R-factor	0.168
Rwork	0.168
R-free	0.20200
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX (then SOLVE/RESOLVE)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.045	0.078
Number of reflections	42744
<I/σ(I)>	33	10.43
Completeness [%]	83.9	61.7
Redundancy	3.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil	7	291	Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution: 100mM Bis-Tris Propane (pH 7), 40% PEG4k, and 100mM NH4Cl , microbatch under oil, temperature 291K