9KBE

Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with indolcarboxamide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	P 1 21 1
Unit cell lengths	84.289, 105.340, 89.468
Unit cell angles	90.00, 114.52, 90.00

Refinement procedure

Resolution	43.420 - 2.150
R-factor	0.217
Rwork	0.216
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.568
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.940	2.180
High resolution limit [Å]	2.150	2.150
Rmerge	0.126
Rpim	0.024	0.573
Number of reflections	77682	3853
<I/σ(I)>	12.4	1.2
Completeness [%]	99.9	98.59
Redundancy	25.9
CC(1/2)	0.996	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	20mM HEPES pH7.5, 150mM NaCl, 0.05% DDM, 1.17mM Indolecarboxyamide, 2% DMSO