2QTN

Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	95.895, 95.895, 84.532
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400
Rwork	0.204
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kaq
RMSD bond length	0.011
RMSD bond angle	1.499
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.086	0.973
Number of reflections	16503
<I/σ(I)>	12.1
Completeness [%]	95.3	66.5
Redundancy	5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2		sodium chloride, glycerol, tacismate, cobalt chloride, nicotinic acid mononculeotide, pH 7.2, VAPOR DIFFUSION, HANGING DROP