9GTE

Crystal structure of TRIM21 PRY-SPRY domain bound to Suramin

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	2024-03-02
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	42.591, 56.014, 69.008
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.490 - 1.300
R-factor	0.16012
Rwork	0.159
R-free	0.17898
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.424
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.010	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	41260	1896
<I/σ(I)>	22.1
Completeness [%]	99.7
Redundancy	22.8
CC(1/2)	0.999	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20% PEG 6.000 10% ethylene glycol 0.2 ammonium Chlorid