1YIR

Crystal Structure of a Nicotinate Phosphoribosyltransferase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979, 0.97938, 0.95
Spacegroup name	C 1 2 1
Unit cell lengths	222.599, 113.355, 93.231
Unit cell angles	90.00, 104.07, 90.00

Refinement procedure

Resolution	48.030 - 2.100
R-factor	0.213
Rwork	0.213
R-free	0.24700
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.400
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	2.180
High resolution limit [Å]	2.100	2.000
Rmerge	0.120
Number of reflections	129962
<I/σ(I)>	9.2
Completeness [%]	99.1	97.9
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	273	Ammonium Sulphate, PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 273K