32QN

Human TRIM21 PRYSPRY domain in complex with compound 29 (Z37)

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 41 21 2
Unit cell lengths	97.542, 97.542, 48.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.820 - 1.800
R-factor	0.1942
Rwork	0.193
R-free	0.22389
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.477
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]	48.820	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.089	2.753
Rmeas	0.090	2.805
Rpim	0.018	0.532
Total number of observations		35489
Number of reflections	22156	1281
<I/σ(I)>	21.1	1.4
Completeness [%]	100.0
Redundancy	26.6	27.7
CC(1/2)	1.000	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	293	0.056 M Sodium Phosphate Monobasic 1.344 M Potassium Phosphate Dibasic