7NUF

Vaccinia virus protein 018 in complex with STAT1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-19
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	169.056, 37.468, 115.476
Unit cell angles	90.00, 116.19, 90.00

Refinement procedure

Resolution	55.751 - 2.000
R-factor	0.225254064685
Rwork	0.224
R-free	0.25644
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yvl
RMSD bond length	0.009
RMSD bond angle	1.309
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.420	2.040
High resolution limit [Å]	2.000	2.000
Rmeas	0.124
Number of reflections	44523	2186
<I/σ(I)>	6.6
Completeness [%]	99.7	99.8
Redundancy	4.1	4.3
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	300:300 nl drop of protein:condition Protein: 10 mg/ml STAT1:peptide complex in 20 mM Tris pH8.0, 300 mM NaCl, 1 mM EDTA, 5 mM TCEP Condition: 16% PEG 3350 (w/v), 175 mM KCl, 125 mM NH4SO4,