9KWH

Crystal structure of S. aureus tryptophanyl-tRNA synthetase complexed with chuangxinmycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	C 1 2 1
Unit cell lengths	184.600, 66.520, 99.500
Unit cell angles	90.00, 101.65, 90.00

Refinement procedure

Resolution	30.230 - 2.380
R-factor	0.1957
Rwork	0.195
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.067
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.230	2.440
High resolution limit [Å]	2.380	2.380
Rmerge	0.114	1.081
Number of reflections	47474	3454
<I/σ(I)>	10.8
Completeness [%]	99.6
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	291	0.1 M Tris, 5% gamma-PGA (Na salt, low molecular), 20% PEG 2000 MME