9QXK

SARS-CoV-2 nsp14 with thiophene-3-sulfonamide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	67.315, 68.062, 138.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.050 - 1.910
R-factor	0.1973
Rwork	0.195
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.153
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.21-5207-000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.050	1.950
High resolution limit [Å]	1.910	1.910
Number of reflections	50085	3336
<I/σ(I)>	14.8	1.6
Completeness [%]	100.0	100
Redundancy	13.6	13.9
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	1.26 M sodium phosphate monobasic, 0.14 M potassium phosphate dibasic