8Y59

Crystal structure of TRIM21 PRYSPRY (D355A) in complex with (S)-hydroxyl-acepromazine.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17UM
Synchrotron site	SSRF
Beamline	BL17UM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-18
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.979168
Spacegroup name	P 41 21 2
Unit cell lengths	100.908, 100.908, 49.955
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.130 - 1.890
R-factor	0.1907
Rwork	0.186
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.249
Data reduction software	XDS (VERSION Jan 10, 2022)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.130	1.930
High resolution limit [Å]	1.890	1.890
Rmerge	0.091	0.949
Rmeas	0.094	1.000
Rpim	0.024	0.342
Total number of observations	306302
Number of reflections	21202	1345
<I/σ(I)>	16.2
Completeness [%]	100.0
Redundancy	14.4	8.3
CC(1/2)	0.999	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M Tris (pH 7.0), 3.5 M sodium formate