9KWW

Crystal structure of S. aureus tryptophanyl-tRNA synthetase complexed with 3-demethylchuangxinmycin

This is a non-PDB format compatible entry.

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	2024-04-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	C 1 2 1
Unit cell lengths	183.942, 66.217, 99.310
Unit cell angles	90.00, 101.53, 90.00

Refinement procedure

Resolution	73.890 - 2.120
R-factor	0.2034
Rwork	0.201
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.910
Data reduction software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.890	2.180
High resolution limit [Å]	2.120	2.120
Rmerge	0.093	0.766
Number of reflections	66421	4863
<I/σ(I)>	9.1
Completeness [%]	99.7
Redundancy	6.1

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