4C9J

Structure of yeast mitochondrial ADP/ATP carrier isoform 3 inhibited by carboxyatractyloside (P212121 crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-20
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	40.286, 104.168, 154.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.977 - 3.397
R-factor	0.2518
Rwork	0.249
R-free	0.29690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c9g
RMSD bond length	0.002
RMSD bond angle	0.827
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.340	3.670
High resolution limit [Å]	3.400	3.400
Rmerge	0.250	0.720
Number of reflections	9455
<I/σ(I)>	5.9	2.1
Completeness [%]	99.2	96.6
Redundancy	3.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		0.1M TRIS PH 8.5, 20MM SODIUM CITRATE, 10% T-BUTANOL, 28% PEG400