9BXY

CRYSTAL STRUCTURE OF HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH DL-III-117

This is a non-PDB format compatible entry.

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	2024-03-18
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	66.467, 67.686, 87.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.710 - 2.110
R-factor	0.1985
Rwork	0.196
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.206
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.078
Rpim	0.039	0.570
Number of reflections	18965	944
<I/σ(I)>	24.7	1.2
Completeness [%]	82.4	84.2
Redundancy	4.2	3.7
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	10% PEG 3350 5% PEG 400 0.1 M HEPES pH 7.5