9HS7

Anti-HIV-1 chimeric miniprotein mimicking the N-terminal half of gp41 NHR with an extended region targeting the MPER

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979260
Spacegroup name	P 65
Unit cell lengths	65.435, 65.435, 88.769
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.290 - 1.698
R-factor	0.2027
Rwork	0.201
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.401
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.290	1.908
High resolution limit [Å]	1.698	1.698
Rmerge	0.075	0.991
Rpim	0.024	0.330
Number of reflections	11436	572
<I/σ(I)>	15.9	2.2
Completeness [%]	94.1	86.9
Redundancy	10.2	10
CC(1/2)	1.000	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1M sodium phosphate monobasic monohydrate, 0.1M potassium phosphate monobasic, 2M NaCl