4EVW

Crystal Structure of the nucleoside-diphosphate-sugar pyrophosphorylase from Vibrio cholerae RC9. Northeast Structural Genomics Consortium (NESG) Target VcR193.

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	2012-04-18
Detector	MAR CCD 165 mm
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	48.303, 117.003, 128.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.247 - 1.900
R-factor	0.185
Rwork	0.184
R-free	0.20300
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.334
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SnB
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.130	0.535
Number of reflections	111375
<I/σ(I)>	25.44	3.16
Completeness [%]	99.9	100
Redundancy	10.4	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbatch crystallization under oil	7.5	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 20% PEG 8000, 0.1M magnesium nitrate, 0.1M HEPES, pH 7.5, Microbatch crystallization under oil , temperature 277K