7O4E

The DYW domain of A. thaliana OTP86 in its inactive state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.282
Spacegroup name	C 1 2 1
Unit cell lengths	124.570, 30.580, 77.530
Unit cell angles	90.00, 125.75, 90.00

Refinement procedure

Resolution	38.722 - 2.500
R-factor	0.2241
Rwork	0.222
R-free	0.27140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_129211461
Data reduction software	XDS (January 26th, 2018)
Data scaling software	XDS (January 26th, 2018)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.600
High resolution limit [Å]	2.500	2.500
Rmeas	0.235	1.899
Number of reflections	16019	1761
<I/σ(I)>	7.46	1.06
Completeness [%]	99.2	99
Redundancy	6.5	6
CC(1/2)	0.994	0.428

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100 nl protein plus 100 nl reservoir (0.1 M glycine, pH 10.5, 1.2 M NaH2PO4, 0.8 M K2HPO4, 0.2 M Li2SO4) plus 30 nl additive (0.1 M 50% v/v Jeffamine M-600 pH 7.0). Cryo: reservoir solution supplemented with 15% (v/v) ethylene glycol.