4XFD

Crystal Structure of a NH(3)-dependent NAD(+) synthetase from Pseudomonas aeruginosa

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]	100
Detector technology	CCD
Collection date	2014-10-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	111.980, 41.690, 64.470
Unit cell angles	90.00, 113.40, 90.00

Refinement procedure

Resolution	31.642 - 1.550
R-factor	0.1702
Rwork	0.169
R-free	0.19930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.229
Data scaling software	XSCALE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.062	0.026	0.536
Rmeas	0.073	0.032	0.633
Total number of observations	141766
Number of reflections	39807	435	2917
<I/σ(I)>	13.03	29.46	2.76
Completeness [%]	99.5	89	99.9
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Morpheus (B4): 12.5% PEG-1000, 12.5% PEG-3350, 12.5% MPD, 0.1M MES/imidazole, pH 6.5, 0.03M each sodium fluoride, sodium bromide, sodium iodide; PsaeA.00025.a.B1.PW37555 at 23.5 mg/ml, tray 258195b4