7HMP

PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1530301542

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-24
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92124
Spacegroup name	I 4
Unit cell lengths	95.431, 95.431, 45.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.340 - 1.150
R-factor	0.1766
Rwork	0.176
R-free	0.19240
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.013
RMSD bond angle	1.901
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.300	41.300	1.170
High resolution limit [Å]	1.150	6.280	1.150
Rmerge	0.039	0.039	0.602
Rmeas	0.041	0.041	0.852
Rpim	0.012	0.013	0.602
Total number of observations	589226	6213	323
Number of reflections	62342	488	321
<I/σ(I)>	27.9	120.3	0.7
Completeness [%]	84.3	99.7	8.8
Redundancy	9.5	12.7	1
CC(1/2)	0.999	0.988

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8