8GD3

Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-101

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	62.730, 66.948, 92.175
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.400 - 2.190
R-factor	0.2106
Rwork	0.208
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.030
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.190	2.190
Rmerge	0.172	0.665
Rpim	0.097	0.364
Number of reflections	20214	865
<I/σ(I)>	25.5	2.1
Completeness [%]	97.4	85
Redundancy	4.3	3.8
CC(1/2)	1.000	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	10% PEG 3350 10% PEG 400 0.1 M HEPES pH 7.5