6ONE

Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-III-188-A01.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	66.290, 66.950, 86.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.031 - 2.200
R-factor	0.2006
Rwork	0.198
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tgt
RMSD bond length	0.005
RMSD bond angle	0.743
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.031	2.320
High resolution limit [Å]	2.200	2.200
Rpim	0.062	0.411
Number of reflections	18550	10164
<I/σ(I)>	4.4	1
Completeness [%]	92.3	95
Redundancy	3.7	3.7
CC(1/2)	0.990	0.720

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