4GBE

Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-05
Wavelength(s)	0.924530
Spacegroup name	P 31 2 1
Unit cell lengths	161.176, 161.176, 95.563
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.020 - 2.660
R-factor	0.19789
Rwork	0.196
R-free	0.23929
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.860
Data scaling software	SCALA (3.3.15)
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.712	38.712	2.720
High resolution limit [Å]	2.650	11.850	2.650
Rmerge		0.032	0.848
Number of reflections	41829
<I/σ(I)>	21.6	17	0.9
Completeness [%]	100.0	96.7	100
Redundancy	11.2	8.8	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	100 mM MES, 1600 mM ammonium Sulfate, 16% glycerol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K