32QL

Human TRIM21 PRYSPRY domain in complex with HGC6525

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	2025-05-12
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	P 62
Unit cell lengths	67.877, 67.877, 70.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.300 - 1.400
R-factor	0.16805
Rwork	0.166
R-free	0.19696
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.442
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]	45.300	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.039	0.665
Rmeas	0.040	0.693
Rpim	0.009	0.194
Total number of observations		22359
Number of reflections	36566	1780
<I/σ(I)>	36.5	3
Completeness [%]	100.0
Redundancy	19.9	12.6
CC(1/2)	1.000	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.7	293	6% PEG 6000 0.1 Na Citrate pH 4.7