1L2Q

Crystal Structure of the Methanosarcina barkeri Monomethylamine Methyltransferase (MtmB)

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	2000-03-23
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	P 63 2 2
Unit cell lengths	158.070, 158.070, 135.891
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.16 *
Rwork	0.161
R-free	0.17400 *
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	1.176 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.049	0.281
Total number of observations	513202 *
Number of reflections	105886
<I/σ(I)>	29.1	4.7
Completeness [%]	96.7	94.6 *
Redundancy	4.6	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	4 *	1.6M (NH4)2SO4, 0.1M NaCl, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop		200 (mM)
3	1	drop	MOPS	50 (mM)	pH6.0
4	1	reservoir	ammonium sulfate	1.6 (M)
5	1	reservoir		0.1 (M)
6	1	reservoir	HEPES	0.1 (M)	pH7.5