7DQK

A nicotine MATE transporter, Nicotiana tabacum MATE2 (NtMATE2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	61.000, 89.370, 228.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.200 - 3.500
R-factor	0.2637
Rwork	0.259
R-free	0.31130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yck
RMSD bond length	0.002
RMSD bond angle	0.438
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19rc6_4061)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.625
High resolution limit [Å]	3.500	3.500
Number of reflections	16478	1625
<I/σ(I)>	7.66	1.18
Completeness [%]	99.7
Redundancy	34.4
CC(1/2)	0.996	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.5	293	monoolein (NU-CHEK-PREP), PEG 300 (Sigma-Aldrich), NH4H2PO4, HEPES-Na, 2.5 mM nicotine