5XJJ

Crystal structure of a MATE family protein

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	CCD
Collection date	2016-11-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	60.710, 69.890, 117.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.833 - 2.900
R-factor	0.2445
Rwork	0.239
R-free	0.29560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vvn
RMSD bond length	0.003
RMSD bond angle	0.541
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.833	45.833	2.970
High resolution limit [Å]	2.800	8.370	2.800
Rmerge	0.497	0.165	1.987
Rmeas	0.544	0.177	2.179
Number of reflections	12420	512	1985
<I/σ(I)>	3.7	9.65	1.23
Completeness [%]	96.2	91.1	97.9
Redundancy	5.331	5.381	5.42
CC(1/2)	0.929	0.979	0.354

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.5	298	30% PEG400, 100 mM NaCl, 100 mM Li2SO4