8PNL

Outward-open conformation of a Major Facilitator Superfamily (MFS) transporter MHAS2168, a homologue of Rv1410 from M. tuberculosis, in complex with an alpaca nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999
Spacegroup name	P 1 21 1
Unit cell lengths	57.780, 160.700, 82.960
Unit cell angles	90.00, 109.01, 90.00

Refinement procedure

Resolution	44.700 - 2.700
R-factor	0.2474
Rwork	0.245
R-free	0.29150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.729
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.700	50.000	2.770
High resolution limit [Å]	2.700	12.070	2.700
Rmerge	0.095	0.026	1.638
Rmeas	0.107	0.029	1.838
Number of reflections	39032	440	2911
<I/σ(I)>	8.77
Completeness [%]	99.3
Redundancy	4.65
CC(1/2)	0.999	0.999	0.347

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.7	293.15	380 mM NaH2PO4, 0.1 M sodium citrate (pH 5.7), 28% (v/v) PEG400, 2.4% (v/v) 1,4-butanediole