10PX

Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with benzoxaborole derivative of azithromycin (AZI-BB2), mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.45A resolution

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-10
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	208.220, 446.660, 615.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	121.110 - 2.450
R-factor	0.2478
Rwork	0.245
R-free	0.30010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xhw
RMSD bond length	0.008
RMSD bond angle	1.410
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	121.110	121.110	2.510
High resolution limit [Å]	2.450	10.960	2.450
Rmerge	0.282	0.078	2.546
Rmeas	0.301	0.084	2.738
Total number of observations	17555047
Number of reflections	2068541	24016	152287
<I/σ(I)>	6.55	18.16	0.85
Completeness [%]	99.9	98.6	99.9
Redundancy	8.487	8.712	7.314
CC(1/2)	0.985	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.6	292	0.1-0.2 M Arginine-HCl, 0.1M Tris-HCl pH 7.6, 2.5% PEG-20K, 7-12% MPD, 0.5 mM BME