8IBP

Crystal structure of Mycobacterium tuberculosis R21K ClpC1 N-terminal domain in complex with Lassomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-03
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0723
Spacegroup name	P 21 21 21
Unit cell lengths	47.537, 58.483, 64.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.350 - 1.450
R-factor	0.17741
Rwork	0.176
R-free	0.20893
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.350	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.037	0.444
Number of reflections	29919	2992
<I/σ(I)>	17.4	2.4
Completeness [%]	91.9
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	1.4 M sodium acetate, 0.1 M sodium cacodylate (pH 6.5)