1EJ2

Crystal structure of methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase with bound NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-10-11
Detector	ADSC QUANTUM 4
Spacegroup name	P 63 2 2
Unit cell lengths	89.084, 89.084, 109.926
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.300 - 1.900
R-factor	0.211
Rwork	0.211
R-free	0.24100
RMSD bond length	0.016
RMSD bond angle	23.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.041	0.388
Total number of observations	492526 *
Number of reflections	20932
<I/σ(I)>	37
Completeness [%]	100.0	100
Redundancy	11.4	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	20 *	1.5 M LiSO4, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir		1.5 (M)
3	1	reservoir	HEPES	100 (mM)