6UT1

CRYSTAL STRUCTURE OF HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH BNM-III-170

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	2019-05-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	66.530, 66.840, 87.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.153 - 2.650
R-factor	0.2043
Rwork	0.202
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tgt
RMSD bond length	0.006
RMSD bond angle	0.828
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.790
High resolution limit [Å]	2.650	2.650
Rpim	0.082	0.571
Number of reflections	10207	1509
<I/σ(I)>	3.9	0.8
Completeness [%]	88.6	90
Redundancy	3.1	3.2
CC(1/2)	0.990	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	10% PEG 3350, 5% PEG 400, 0.1 M HEPES pH 7.5