6N40

Crystal structure of MmpL3 from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-04-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	84.239, 130.917, 155.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.185 - 3.307
R-factor	0.2684
Rwork	0.266
R-free	0.31450
RMSD bond length	0.003
RMSD bond angle	0.631
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.14rc1_3177: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.185	100.000	3.420
High resolution limit [Å]	3.300	7.110	3.300
Rmerge	0.145	0.061	2.870
Rmeas	0.155	0.065	3.067
Rpim	0.054	0.024	1.058
Total number of observations	220075
Number of reflections	26284	2795	2574
<I/σ(I)>	5
Completeness [%]	94.0	99	99.8
Redundancy	8.4	7.8	8
CC(1/2)		0.997	0.574

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	20%PEG400 and 0.1M LiCl