6X7N

LnmK in complex with 2-nitronate-propionyl-amino(dethia)-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	80
Detector technology	IMAGE PLATE
Collection date	2016-06-14
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97872
Spacegroup name	P 61 2 2
Unit cell lengths	60.875, 60.875, 309.488
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.880 - 1.420
R-factor	0.1938
Rwork	0.192
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hzo
RMSD bond length	0.014
RMSD bond angle	2.002
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.880	1.470
High resolution limit [Å]	1.420	1.420
Rmerge	0.088	1.029
Rmeas	0.093	1.081
Rpim	0.029	0.327
Number of reflections	65021	6335
<I/σ(I)>	176.4	3.6
Completeness [%]	99.5	100
Redundancy	10.3	10.4
CC(1/2)	0.997	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	150 mM ammonium sulfate, 100 mM HEPES pH 7.0, 24% PEG3350, and 15% PEG400