3PG5

Crystal structure of protein DIP2308 from Corynebacterium diphtheriae, Northeast Structural Genomics Consortium Target CdR78

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-12
Detector	MAR CCD 165 mm
Wavelength(s)	0.97908
Spacegroup name	P 4 21 2
Unit cell lengths	199.963, 199.963, 106.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.300
R-factor	0.187
Rwork	0.187
R-free	0.23500
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.100
Data reduction software	HKL-2000
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	3.420
High resolution limit [Å]	3.300	3.300
Rmerge	0.230	0.814
Number of reflections	62028
<I/σ(I)>	13.47	2.56
Completeness [%]	100.0	100
Redundancy	13.6	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	micro batch under oil	9	277	Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution: 0.1 M TAPS (pH 9), 40% PEG400, and 0.1 M magnesium nitrate, micro batch under oil, temperature 277K