8P8X

Crystal structure of a pathogenic mutant variant of human mitochodnrial PheRS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	54.529, 88.460, 97.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.320 - 1.460
R-factor	0.1461
Rwork	0.145
R-free	0.16680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.895
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.320	1.480
High resolution limit [Å]	1.460	1.460
Rmerge	0.039	0.631
Rmeas	0.042	0.713
Rpim	0.016	0.323
Total number of observations	546378	17715
Number of reflections	82262	3860
<I/σ(I)>	21	2
Completeness [%]	99.7
Redundancy	6.6	4.6
CC(1/2)	1.000	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	296	1.7 M sodium acetate trihydrate pH 7, 0.1 M BIS-TRIS propane pH 7, 0.1 M MgCl2, 1% v/v 1,2-Butanediol