6X7P

LnmK in complex with 2-sulfonate-propionyl-oxa(dethia)-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	80
Detector technology	IMAGE PLATE
Collection date	2016-02-17
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97856
Spacegroup name	P 61 2 2
Unit cell lengths	61.087, 61.087, 312.986
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.230 - 1.550
R-factor	0.181
Rwork	0.179
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hzo
RMSD bond length	0.012
RMSD bond angle	2.229
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.261	1.000
Number of reflections	51370	4621
<I/σ(I)>	91.9	1.1
Completeness [%]	99.1	91.3
Redundancy	17.9	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	9% PEG400, 100 mM Bis-Tris pH 7.5, 28% PEG3350