7QRX

Crystal structure of NHL domain of TRIM71

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99999
Spacegroup name	P 1 21 1
Unit cell lengths	34.750, 78.674, 92.852
Unit cell angles	90.00, 100.08, 90.00

Refinement procedure

Resolution	45.710 - 2.200
R-factor	0.2338
Rwork	0.232
R-free	0.27160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fql
RMSD bond length	0.009
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.710	45.710	2.280
High resolution limit [Å]	2.200	8.520	2.200
Rmerge	0.133	0.050	0.817
Rmeas	0.156	0.054	0.952
Rpim	0.059	0.021	0.352
Number of reflections	25069	453	2450
<I/σ(I)>	7.6		2.1
Completeness [%]	99.9	99.5	99.9
Redundancy	6.9	6.9	7.1
CC(1/2)	0.998	0.999	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	20% PEG3350, 10% ethylene glycol, 0.1M bis-tris-propane pH 8.5, 0.2M potassium thiocyanate