9DRH

Crystal structure of Tet(X7) bound to anhydrotetracycline C10-benzoate ester

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	132.730, 132.730, 57.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.790 - 3.300
R-factor	0.2395
Rwork	0.234
R-free	0.29140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.459
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.790	3.510
High resolution limit [Å]	3.300	3.300
Number of reflections	8118	8117
<I/σ(I)>	6.5
Completeness [%]	99.5
Redundancy	6.79
CC(1/2)	0.990	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.1 M Hepes, pH 7.5, 0.2 M ammonium sulfate, 16% PEG 4000 and 10% isopropanol