8DCQ

CRYSTAL STRUCTURE OF HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH YIR-821

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	2018-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	65.660, 67.280, 87.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.690 - 3.200
R-factor	0.2206
Rwork	0.218
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6onf
RMSD bond length	0.007
RMSD bond angle	1.094
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.370
High resolution limit [Å]	3.200	3.200
Rpim	0.169	0.745
Number of reflections	8078	722
<I/σ(I)>	2.1	0.5
Completeness [%]	72.3	75.3
Redundancy	3.3
CC(1/2)	0.940	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	10% PEG 1500 5% PEG 400 0.1 M HEPES pH 7.5