4RTL

Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with Sinefungin and with DNA Containing Distal Pap Regulon Sequence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-15
Detector	MAR CCD 165 mm
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	38.333, 66.296, 149.241
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.600 - 2.193
R-factor	0.2062
Rwork	0.204
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g1p
RMSD bond length	0.011
RMSD bond angle	1.079
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.606	2.270
High resolution limit [Å]	2.190	2.190
Rmerge	0.056	0.287
Number of reflections	20122
<I/σ(I)>	24.4	5.7
Completeness [%]	99.3	98.5
Redundancy	8.7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	289	24% PEG200, 100mM KCl, 10mM MgSO4, 100mM MES buffer, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 289K