1YBE

Crystal Structure of a Nicotinate phosphoribosyltransferase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-27
Detector	BRANDEIS - B4
Wavelength(s)	0.9796, 0.9792, 0.95
Spacegroup name	P 21 21 2
Unit cell lengths	179.768, 69.428, 87.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.360 - 2.500
R-factor	0.222
Rwork	0.222
R-free	0.27200
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.610
High resolution limit [Å]	2.500	2.500
Rmerge	0.130	0.580
Number of reflections	39072
<I/σ(I)>	10	10
Completeness [%]	99.6	96.6
Redundancy	27.6	27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Bis-Tris, PEGMME5000, PEG400, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K