2RAD

Crystal structure of the succinoglycan biosynthesis protein. Northeast structural Genomics Consortium target BcR135

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	2007-09-12
Detector	MAR CCD 165 mm
Wavelength(s)	0.97900
Spacegroup name	P 1 21 1
Unit cell lengths	87.786, 54.187, 98.911
Unit cell angles	90.00, 97.20, 90.00

Refinement procedure

Resolution	19.930 - 2.750
R-factor	0.209
Rwork	0.209
R-free	0.28100
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.081	0.412
Number of reflections	45750
<I/σ(I)>	12	1.7
Completeness [%]	97.3	79.9
Redundancy	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100 mM Tris-HCl pH 8.5, 18% PEG 3350, 25mM ATP, VAPOR DIFFUSION, HANGING DROP, temperature 293K