9K7E

Crystal structure of T2R-TTL-taccalonolide Y8 complex

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	104.830, 157.190, 181.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.430 - 2.450
R-factor	0.2147
Rwork	0.214
R-free	0.26730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	16.867
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.430	2.510
High resolution limit [Å]	2.450	2.450
Number of reflections	110769	8089
<I/σ(I)>	10.4
Completeness [%]	100.0
Redundancy	13.5
CC(1/2)	0.995	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	6% PEG, 5% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7