6F7L

Crystal structure of LkcE R326Q mutant in complex with its substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	125.554, 125.554, 156.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.990 - 2.500
R-factor	0.2075
Rwork	0.206
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f32
RMSD bond length	0.015
RMSD bond angle	1.790
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.990	48.990	2.600
High resolution limit [Å]	2.500	20.000	2.500
Rmerge	0.047	0.024	0.635
Rmeas	0.053	0.030	0.720
Total number of observations	192929
Number of reflections	43788	96	4763
<I/σ(I)>	20.24	49.26	2.42
Completeness [%]	99.6	83.5	99.4
Redundancy	4.406	3.427	4.403
CC(1/2)	0.999	0.997	0.751

Crystallization Conditions

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