1VLM

Crystal structure of SAM-dependent methyltransferase, possible histamine N-methyltransferase (TM1293) from Thermotoga maritima at 2.20 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-12
Detector	ADSC
Spacegroup name	P 21 21 2
Unit cell lengths	65.648, 70.734, 93.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.810 - 2.200
R-factor	0.1943
Rwork	0.192
R-free	0.24610
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.445
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.810	2.260
High resolution limit [Å]	2.200	2.200
Number of reflections	22405
<I/σ(I)>	9.9	2
Completeness [%]	98.4	92.1
Redundancy	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	20.00% NP_Isopropanol, 0.034M Na/K-Phosphate pH5.0, 0.066M Na/K-Phosphate pH 7.0, 5.00% Glycerol, 20.00% NP_PEG 4000 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	20.00% NP_Isopropanol, 0.034M Na/K-Phosphate pH5.0, 0.066M Na/K-Phosphate pH 7.0, 5.00% Glycerol, 20.00% NP_PEG 4000 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	20.00% NP_Isopropanol, 0.034M Na/K-Phosphate pH5.0, 0.066M Na/K-Phosphate pH 7.0, 5.00% Glycerol, 20.00% NP_PEG 4000 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K