2H0R

Structure of the Yeast Nicotinamidase Pnc1p

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-11
Detector	CUSTOM-MADE
Wavelength(s)	1.0332
Spacegroup name	H 3
Unit cell lengths	302.040, 302.040, 112.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.900
R-factor	0.19066
Rwork	0.189
R-free	0.21997
Structure solution method	MAD+MIRAS
RMSD bond length	0.012
RMSD bond angle	1.331
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	84498
<I/σ(I)>	21	3.4
Completeness [%]	100.0	100
Redundancy	4.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	0.9M sodium citrate, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	7.5	298	0.9M sodium citrate, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	7.5	298	0.9M sodium citrate, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	7.5	298	0.9M sodium citrate, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, temperature 298K