7B2S

Crystal structure of SPRY domain of TRIM9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-30
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.00003
Spacegroup name	C 1 2 1
Unit cell lengths	61.620, 45.280, 57.657
Unit cell angles	90.00, 106.96, 90.00

Refinement procedure

Resolution	35.910 - 1.500
R-factor	0.1432
Rwork	0.142
R-free	0.17380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x8n
RMSD bond length	0.016
RMSD bond angle	1.593
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.910	35.910	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.030	0.041	0.056
Rmeas	0.036	0.046	0.069
Rpim	0.015	0.021	0.029
Number of reflections	24080	282	1760
<I/σ(I)>	33.9		19.5
Completeness [%]	98.6	94.6	97.6
Redundancy	5.8	4.7	5.4
CC(1/2)	0.998	0.995	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	30% PEG 8000, 0.2 M Ammonium sulfate