6F7V

Crystal structure of LkcE E64Q mutant in complex with LC-KA05

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.95371
Spacegroup name	P 41 21 2
Unit cell lengths	124.834, 124.834, 157.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.000 - 3.030
R-factor	0.1938
Rwork	0.191
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.605
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.900	48.900	3.110
High resolution limit [Å]	3.030	13.550	3.030
Rmerge	0.111	0.035	0.760
Rmeas	0.113	0.036	0.774
Rpim	0.021	0.007	0.142
Total number of observations	737003
Number of reflections	24814	340	1757
<I/σ(I)>	28
Completeness [%]	99.8	98.2	97.2
Redundancy	29.7	22.5	27.9
CC(1/2)	1.000	1.000	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	16 % PEG 8000, 160 mM calcium acetate, Bis Tris 100 mM pH 6.5