9NNU

Crystal Structure of Ebola Envelope glycoprotein GP in complex with compound LD4-189ZbR

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-24
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.979
Spacegroup name	H 3 2
Unit cell lengths	114.222, 114.222, 306.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.270 - 2.590
R-factor	0.2224
Rwork	0.220
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.621
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.590	2.590
Number of reflections	24322	1197
<I/σ(I)>	22.4
Completeness [%]	99.5
Redundancy	9.2
CC(1/2)	0.990	0.455

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	9% PEG6000, 100 mM Sodium Citrate, pH 5.2