6QE5

Structure of E.coli RlmJ in complex with the natural cofactor product S-adenosyl-homocysteine (SAH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-02
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.87313
Spacegroup name	P 1
Unit cell lengths	46.218, 46.224, 71.361
Unit cell angles	79.58, 77.59, 70.35

Refinement procedure

Resolution	43.228 - 1.610
R-factor	0.1904
Rwork	0.189
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4blv
RMSD bond length	0.006
RMSD bond angle	0.935
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.230	1.670
High resolution limit [Å]	1.610	1.610
Rmerge	0.076
Number of reflections	67854
<I/σ(I)>	9.89
Completeness [%]	97.1
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M KSCN, 30% (w/v) polyethylene glycol methyl ether 2000