7HMV

PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z56978034

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	95.369, 95.369, 45.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.740 - 1.150
R-factor	0.1775
Rwork	0.177
R-free	0.19390
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.013
RMSD bond angle	1.839
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]	33.720	33.720	1.170
High resolution limit [Å]	1.150	6.280	1.150
Rmerge	0.053	0.044	1.078
Rmeas	0.055	0.046	1.524
Rpim	0.016	0.014	1.078
Total number of observations	587897	6253	303
Number of reflections	57034	487	281
<I/σ(I)>	16.4	52.2	0.4
Completeness [%]	77.2	99.5	7.8
Redundancy	10.3	12.8	1.1
CC(1/2)	0.999	0.990

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