9O66

Crystal Structure of Tryptophanyl-tRNA synthetase from Klebsiella aerogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-15
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	153.156, 75.510, 56.754
Unit cell angles	90.00, 95.93, 90.00

Refinement procedure

Resolution	43.270 - 2.100
R-factor	0.2036
Rwork	0.201
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.544
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_5660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.770	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.173	1.098
Rmeas	0.188	1.191
Rpim	0.073	0.456
Total number of observations	251613	20511
Number of reflections	37570	3047
<I/σ(I)>	8.8	2.3
Completeness [%]	99.8
Redundancy	6.7	6.7
CC(1/2)	0.978	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Morpheus A1: 20%(v/v) PEG 500 MME, 10%(w/v) PEG 20000, 100 mM Imidazole/MES, pH 6.5, 30 mM MgCl2 and 30 mM CaCl2. KlaeA.00241.a.UX1.PW39324 at 11.1 mg/mL. plate 19612 A1 drop 1. Puck: PSL-1906, Cryo: Direct