6DE9

mitoNEET bound to furosemide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.74
Spacegroup name	I 41 2 2
Unit cell lengths	58.830, 58.830, 176.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.300 - 1.950
R-factor	0.2016
Rwork	0.200
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ree
Data reduction software	MOSFLM
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.300	30.300	2.020
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.035	0.066	0.253
Rmeas	0.100	0.068	1.378
Rpim	0.021	0.013	0.298
Total number of observations	257706
Number of reflections	11815	159	799
<I/σ(I)>	40.9		2.24
Completeness [%]	99.9	98.2	100
Redundancy	21.8	21.7	21.1
CC(1/2)	0.999	0.999	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	60% v/v Tacsimate TM, pH 7.0