6TVU

Structure of native gp41 derived peptide fusion inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.918400
Spacegroup name	H 3 2
Unit cell lengths	44.963, 44.963, 209.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.280 - 1.250
Rwork	0.162
R-free	0.21040
Structure solution method	AB INITIO PHASING
RMSD bond length	0.012
RMSD bond angle	1.732
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	ACORN
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.300	1.270
High resolution limit [Å]	1.250	1.250
Rpim	0.083
Number of reflections	23184	1119
<I/σ(I)>	7.5
Completeness [%]	100.0
Redundancy	14.5
CC(1/2)	0.997	0.396

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	293.15	PEG 4000, 2-Propanol, Citrate