4TSF

The Pathway of Binding of the Intrinsically Disordered Mitochondrial Inhibitor Protein to F1-ATPase

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	2012-09-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99988
Spacegroup name	P 21 21 21
Unit cell lengths	108.015, 154.420, 269.465
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	134.730 - 3.200
R-factor	0.2364
Rwork	0.234
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v7q
RMSD bond length	0.004
RMSD bond angle	0.721
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.810	67.190	3.270
High resolution limit [Å]	3.200	15.730	3.200
Rmerge	0.085	0.031
Rpim		0.022	0.287
Total number of observations		1407	11311
Number of reflections	68526
<I/σ(I)>	7.2	15.5	2.5
Completeness [%]	92.2	81.6	93.9
Redundancy	2.1	2.5	2
CC(1/2)		0.997	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.2	295	Tris-HCl, PEG 4000, magnesium chloride, EDTA, NaCl, spermidine