1M8F

Crystal Structure Of Methanobacterium Thermoautotrophicum Nicotinamide Mononucleotide Adenylyltransferase Mutant R11A complexed with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-04
Detector	ADSC QUANTUM 4
Wavelength(s)	1.100
Spacegroup name	P 63 2 2
Unit cell lengths	88.325, 88.325, 110.449
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.280 - 2.400
R-factor	0.194
Rwork	0.194
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ej2
RMSD bond length	0.006
RMSD bond angle	21.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.083	0.376
Total number of observations	42952 *
Number of reflections	9715 *
<I/σ(I)>	14.3	2.5
Completeness [%]	92.9 *	96.9 *
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	20 *	1.5 M Ammonium Sulfate, 100 mM Tris, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.6 (M)
2	1	reservoir	glycerol	5 (%)
3	1	reservoir	Tris-HCl	100 (mM)	pH8.0
4	1	drop	ammonium sulfate	1.5-1.6 (M)
5	1	drop	glycerol	5 (%)
6	1	drop	Tris-HCl	100 (mM)	pH8.0
7	1	drop	protein	10 (mg/ml)