3Q4G

Structure of NAD synthetase from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	110
Detector technology	CCD
Collection date	2010-07-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	93.426, 93.426, 165.297
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.700 - 2.400
R-factor	0.1729
Rwork	0.171
R-free	0.21510
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.847
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.113	0.499
Number of reflections	33278
<I/σ(I)>	22.8	2.5
Completeness [%]	99.4	95.3
Redundancy	13.4	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2M sodium formate, 100mM sodium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K