8Y5B

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

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-24
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 41 21 2
Unit cell lengths	100.889, 100.889, 48.194
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.670 - 1.740
R-factor	0.1761
Rwork	0.174
R-free	0.20340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.336
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]	48.190	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.079	1.691
Rmeas	0.080	1.736
Rpim	0.016	0.386
Total number of observations	653164	27236
Number of reflections	26245	1382
<I/σ(I)>	25.2	2.2
Completeness [%]	99.9
Redundancy	24.9	19.7
CC(1/2)	1.000	0.762

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