9BXB

CRYSTAL STRUCTURE OF HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH DL-III-14

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-02
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	55.836, 65.373, 84.045
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.460 - 2.500
R-factor	0.2272
Rwork	0.225
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.144
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	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.169	0.894
Rpim	0.105	0.612
Number of reflections	10949	517
<I/σ(I)>	11.4	1.3
Completeness [%]	98.2	94
Redundancy	2.8	3.5
CC(1/2)	0.970	0.480

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