8XPP

Crystal structure of the enterovirus 71 RdRP elongation complex with the nucleoside monophosphate form of compound HNC-1664 at product position -1 (post-translocation state)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-30
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	62.976, 77.858, 154.621
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.500 - 3.000
R-factor	0.2384
Rwork	0.236
R-free	0.29090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f8g
RMSD bond length	0.008
RMSD bond angle	1.177
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.500	35.500	3.080
High resolution limit [Å]	3.000	13.430	3.000
Rmerge	0.099	0.019	0.487
Rmeas	0.121	0.024	0.594
Number of reflections	15781	306	2106
<I/σ(I)>	15.1
Completeness [%]	99.8
Redundancy	5.4
CC(1/2)	0.997	0.999	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	PEG 5000, ammonium sulfate, glycerol, MES, HEPES, sodium chloride, magnesium chloride, TCEP