1TW2

Crystal structure of Carminomycin-4-O-methyltransferase (DnrK) in complex with S-adenosyl-L-homocystein (SAH) and 4-methoxy-e-rhodomycin T (M-ET)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-27
Detector	MARRESEARCH
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	60.682, 102.582, 124.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.000 - 2.500
R-factor	0.2064
Rwork	0.203
R-free	0.27052
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RdmB+SAM+DbrA complex
RMSD bond length	0.013
RMSD bond angle	1.531
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.060	2.565
High resolution limit [Å]	2.500	2.500
Number of reflections	27569
<I/σ(I)>	12.4	4.5
Completeness [%]	99.9	99.9
Redundancy	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	PEG4000, sodium acetate, Tris-buffer, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K