32QO

Human TRIM21 PRYSPRY domain in complex with compound 28 (Z38)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	46.264, 52.064, 70.904
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.970 - 1.300
R-factor	0.13529
Rwork	0.134
R-free	0.15577
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.389
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.060	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.035	0.114
Rmeas	0.036	0.123
Rpim	0.010	0.043
Total number of observations	514111	11130
Number of reflections	41179	1443
<I/σ(I)>	43.9	13.7
Completeness [%]	96.2
Redundancy	12.5	7.7
CC(1/2)	1.000	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	12% PEG 20.000 0.1 M MES pH 6.5