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Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-IV-226.

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	2019-01-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03317
Spacegroup name	P 21 21 21
Unit cell lengths	66.370, 66.850, 85.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.695 - 2.400
R-factor	0.2186
Rwork	0.216
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tgt
RMSD bond length	0.006
RMSD bond angle	1.005
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]	50.000	2.530
High resolution limit [Å]	2.400	2.400
Rpim	0.102	0.469
Number of reflections	12065	1799
<I/σ(I)>	3.4	0.8
Completeness [%]	79.1	82.3
Redundancy	2.9	2.8
CC(1/2)	0.980	0.630

Crystallization Conditions

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