7B2R

Crystal structure of NHL domain of TRIM2

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	P 1
Unit cell lengths	43.620, 44.223, 68.230
Unit cell angles	74.06, 86.93, 62.38

Refinement procedure

Resolution	38.500 - 1.600
R-factor	0.1576
Rwork	0.156
R-free	0.19270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d69
RMSD bond length	0.015
RMSD bond angle	1.515
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]	38.500	38.500	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.048	0.058	0.227
Rmeas	0.058	0.064	0.293
Rpim	0.026	0.028	0.131
Number of reflections	52021	606	3888
<I/σ(I)>	15.9		5.1
Completeness [%]	91.1	94.8	92.1
Redundancy	4.7	4.6	4.9
CC(1/2)	0.998	0.997	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	25% Medium molecular weight PEG Smears, 0.1M MES pH 6.5