7QCR

MLLT4/Afadin PDZ domain in complex with the C-terminal peptide from protein E of SARS-CoV-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-07
Detector	PSI PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	C 1 2 1
Unit cell lengths	76.160, 43.490, 56.070
Unit cell angles	90.00, 96.88, 90.00

Refinement procedure

Resolution	37.810 - 2.280
R-factor	0.2223
Rwork	0.221
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3axa
RMSD bond length	0.008
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.810	2.362
High resolution limit [Å]	2.280	2.281
Rmerge	0.218	1.454
Number of reflections	8373	746
<I/σ(I)>	6.59
Completeness [%]	98.9
Redundancy	6.8
CC(1/2)	0.988	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	1 M Na3 Citrate, 0.1 M TRIS at pH 7, 0.2 M NaCl