1M8G

Crystal Structure Of Methanobacterium Thermoautotrophicum Nicotinamide Mononucleotide Adenylyltransferase Mutant R11K complexed with 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	2000-11-19
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 63 2 2
Unit cell lengths	88.782, 88.782, 109.852
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 * - 2.000
R-factor	0.216
Rwork	0.216
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ej2
RMSD bond length	0.006
RMSD bond angle	21.200 *
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	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.081 *	0.381 *
Total number of observations	187240 *
Number of reflections	17837 *
<I/σ(I)>	25.4	6.3
Completeness [%]	99.4 *	100 *
Redundancy	11

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)