7AEJ

Crystal structure of asymmetric HIV-1 gp41 containing all membrane anchors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	96.750, 101.414, 234.417
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.560 - 3.800
R-factor	0.2677
Rwork	0.265
R-free	0.30770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1env 4b50
RMSD bond length	0.003
RMSD bond angle	0.660
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.560	3.936
High resolution limit [Å]	3.800	3.800
Rmerge	0.230
Number of reflections	11179	631
<I/σ(I)>	4.75
Completeness [%]	78.0
Redundancy	9.1
CC(1/2)	0.992	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M sodium citrate pH 6.0 0.2M ammonium sulfate 20 % PEG 200 0.1 M NaCl