7OWB

Chimeric carminomycin-4-O-methyltransferase (DnrK) with a region from 10-hydroxylase CalMB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-18
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.987
Spacegroup name	P 21 21 2
Unit cell lengths	60.800, 103.137, 66.485
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.870 - 2.450
R-factor	0.2475
Rwork	0.247
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tw2
RMSD bond length	0.011
RMSD bond angle	1.414
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.870	2.590
High resolution limit [Å]	2.450	2.450
Rmerge	0.135	0.968
Number of reflections	15812	5507
<I/σ(I)>	9.19	1.56
Completeness [%]	99.1
Redundancy	5.69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.2 M Potassium thiocyanate, 0.1 M Bis-Tris propane, 20 % w/v PEG 3350