9E7E

Crystal structure of HIV-1 RRE SLII A31CG39C mutant in complex with Fab BL3-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 1
Unit cell lengths	84.369, 95.645, 111.239
Unit cell angles	77.48, 76.34, 74.25

Refinement procedure

Resolution	49.660 - 2.750
R-factor	0.2513
Rwork	0.250
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.356
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.640	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.105	1.634
Number of reflections	160531	4084
<I/σ(I)>	15.8	0.9
Completeness [%]	99.0	97.6
Redundancy	3.6	3.8
CC(1/2)	0.832	0.305

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	298	0.2 M Ammonium citrate dibasic, 20% PEG 3,350