3HVZ

Crystal Structure of the TGS domain of the CLOLEP_03100 protein from Clostridium leptum, Northeast Structural Genomics Consortium Target QlR13A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-28
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	C 2 2 21
Unit cell lengths	107.765, 110.396, 107.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.700 - 2.200
R-factor	0.225
Rwork	0.224
R-free	0.25400
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX (then SOLVE/RESOLVE)
Refinement software	CNS (1.2 & XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.082	0.483
Number of reflections	62970
<I/σ(I)>	25.4	2.9
Completeness [%]	99.8	98.9
Redundancy	7.4	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution: 100mM HEPES (pH 7.5) and 500mM magnesium Formate dihydrate, microbatch, under oil, temperature 277K