2I14

Crystal structure of nicotinate-nucleotide pyrophosphorylase from Pyrococcus furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-22
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97950
Spacegroup name	P 31
Unit cell lengths	111.481, 111.481, 178.263
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.990 - 2.900
R-factor	0.247
Rwork	0.247
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ytd
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.940
High resolution limit [Å]	2.900	2.900
Number of reflections	54984
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M ZnSO4, 0.1M MES pH 6.5, 25% MME, 10 mg/ml protein, VAPOR DIFFUSION, HANGING DROP, temperature 298K