32QR

Human TRIM21 PRYSPRY domain in complex with BMS-214662

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95374
Spacegroup name	P 31 2 1
Unit cell lengths	100.142, 100.142, 57.489
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.120 - 2.100
R-factor	0.1976
Rwork	0.197
R-free	0.20152
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.491
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.490	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.059	2.696
Rmeas	0.061	2.763
Rpim	0.014	0.604
Total number of observations	384806	32956
Number of reflections	19488	1580
<I/σ(I)>	25.1	1.4
Completeness [%]	98.8
Redundancy	19.7	20.9
CC(1/2)	0.996	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	4.3 M Sodium Chloride 0.1 M Hepes pH 8