6FJH

Crystal structure of the seleniated LkcE from Streptomyces rochei

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	CCD
Collection date	2014-05-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	125.300, 125.300, 154.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.660 - 3.150
R-factor	0.2
Rwork	0.198
R-free	0.24000
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.660	48.660	3.200
High resolution limit [Å]	3.150	20.000	3.150
Rmerge	0.131	0.031	0.802
Rmeas	0.141	0.033	0.865
Total number of observations	308163
Number of reflections	40627	143	1871
<I/σ(I)>	13.62	37.41	2.58
Completeness [%]	99.9	91.7	99.3
Redundancy	7.585	6.72	7.007
CC(1/2)	0.997	0.999	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	28% PEG 3350, 200 mM ammonium acetate, 100 mM Bis Tris, pH 6.5