9BXW

CRYSTAL STRUCTURE OF HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH DL-III-115

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	62.701, 66.827, 92.457
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.020 - 2.100
R-factor	0.217
Rwork	0.214
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.769
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	0.113	0.790
Rpim	0.058	0.445
Number of reflections	19892	840
<I/σ(I)>	18.5	1.6
Completeness [%]	84.9	74.4
Redundancy	4	3.4
CC(1/2)	0.990	0.530

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