1TW3

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	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-12
Detector	MARRESEARCH
Wavelength(s)	1.09
Spacegroup name	C 1 2 1
Unit cell lengths	210.690, 53.134, 83.070
Unit cell angles	90.00, 105.03, 90.00

Refinement procedure

Resolution	35.000 - 2.350
R-factor	0.19593
Rwork	0.193
R-free	0.24384
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RdmB+SAM+DbrA complex
RMSD bond length	0.011
RMSD bond angle	1.423
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]	35.000	2.411
High resolution limit [Å]	2.350	2.350
Number of reflections	41714
<I/σ(I)>	13.9	5.5
Completeness [%]	94.8	89.8
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	ammonium sulphate, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K