8Y58

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

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	2022-10-07
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979145
Spacegroup name	P 41 21 2
Unit cell lengths	100.415, 100.415, 49.403
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.830 - 1.600
R-factor	0.1778
Rwork	0.176
R-free	0.20260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.436
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]	44.910	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.052	1.404
Rmeas	0.054	1.456
Rpim	0.014	0.381
Total number of observations	470044	22991
Number of reflections	33072	1595
<I/σ(I)>	24.5	2.1
Completeness [%]	97.5
Redundancy	14.2	14.4
CC(1/2)	1.000	0.856

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