8HYR

Crystal structure of human KARS apo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	77
Detector technology	PIXEL
Collection date	2021-01-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	90.331, 107.664, 130.516
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.240 - 2.550
R-factor	0.2162
Rwork	0.215
R-free	0.24530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.666
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.152	0.930
Rmeas	0.165	0.961
Rpim	0.064	0.383
Number of reflections	42172	4151
<I/σ(I)>	13.5
Completeness [%]	99.7	99.71
Redundancy	6.5	5.9
CC(1/2)	0.991	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.06M Morpheus Divalents, 0.1M Morpheus Buffer system 1, pH 6.5, 30% Morpheus Precipitant Mix 2