8UK6

Candida albicans glutaminyl tRNA synthetase (GLN4) in complex with N-pyrimidinyl-beta-thiophenylacrylamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9796
Spacegroup name	I 4 2 2
Unit cell lengths	143.090, 143.090, 145.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.990 - 2.730
R-factor	0.2068
Rwork	0.203
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.507
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.990	2.828
High resolution limit [Å]	2.730	2.730
Rmerge	0.223	2.571
Rmeas	0.227	2.620
Rpim	0.044	0.502
Number of reflections	20414	2006
<I/σ(I)>	18.65	2.571
Completeness [%]	99.9	100
Redundancy	26.4	27
CC(1/2)	0.999	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M sodium thiocyanate, 22% PEG 3350 with micro seeding