6X7M

LnmK in complex with 2-nitronate-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	61.550, 61.550, 308.805
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.380 - 1.610
R-factor	0.1918
Rwork	0.190
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hzo
RMSD bond length	0.011
RMSD bond angle	1.989
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	1.670
High resolution limit [Å]	1.610	1.610
Rmerge	0.081	1.000
Rmeas	0.083	0.999
Rpim	0.020	0.349
Number of reflections	46465	4527
<I/σ(I)>	87.3	1.5
Completeness [%]	99.7	99.5
Redundancy	20	16.8
CC(1/2)	0.998	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.75 M ammonium sulfate, 33 mM HEPES pH 7.0, 67 mM HEPES 8.0, 9% PEG 400