6GCI

Structure of the bongkrekic acid-inhibited mitochondrial ADP/ATP carrier

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96860
Spacegroup name	P 32 2 1
Unit cell lengths	75.650, 75.650, 295.480
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.350 - 3.300
R-factor	0.253
Rwork	0.252
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5imk 4c9h
RMSD bond length	0.008
RMSD bond angle	0.870
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.350	3.430
High resolution limit [Å]	3.300	3.300
Rmerge	0.063	0.688
Number of reflections	13204	659
<I/σ(I)>	12.1	2.3
Completeness [%]	85.1	40.3
Redundancy	4.7	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.1M MES pH 6.5, 1% 3-methyl-3-pentanol, 22% PEG400