7O4F

The DYW domain of A. thaliana OTP86 in its active 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	2020-02-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	117.599, 132.883, 30.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.030 - 1.650
R-factor	0.2226
Rwork	0.221
R-free	0.26770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292114961
RMSD bond length	0.012
RMSD bond angle	1.212
Data reduction software	XDS (May 15th, 2019)
Data scaling software	XSCALE (May 15th, 2019)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.030	1.750
High resolution limit [Å]	1.650	1.650
Rmeas	0.157	1.802
Number of reflections	57997	8940
<I/σ(I)>	10.3	1.31
Completeness [%]	97.7	94.9
Redundancy	12.7	11.8
CC(1/2)	1.000	0.764

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.