6OR2

MmpL3 is a lipid transporter that binds trehalose monomycolate and phosphatidylethanolamine

Replaces:  6N3T

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]	100
Detector technology	PIXEL
Collection date	2018-08-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	80.814, 129.457, 154.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.252 - 2.590
R-factor	0.2507
Rwork	0.249
R-free	0.28960
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.523
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3318: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.650
High resolution limit [Å]	2.560	5.520	2.560
Rmerge	0.081	0.036	2.237
Rmeas	0.093	0.042	2.614
Rpim	0.045	0.020	1.310
Total number of observations	206933
Number of reflections	51822	5251	5018
<I/σ(I)>	5.6
Completeness [%]	97.4	93.2	96.3
Redundancy	4	4.1	3.5
CC(1/2)		0.995	0.110

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	30% PEG400, 0.05M Mg(Ac)2, 0.1M NaAc(5.0), and 3% glycerol