6UTB

CRYSTAL STRUCTURE OF UNLIGANDED HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE

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	2018-09-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92007
Spacegroup name	P 21 21 21
Unit cell lengths	66.901, 67.687, 86.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.511 - 2.500
R-factor	0.2646
Rwork	0.263
R-free	0.30540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tgt
RMSD bond length	0.006
RMSD bond angle	0.989
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.165
Number of reflections	13726	2025
<I/σ(I)>	6.1	1
Completeness [%]	96.7	62.3
Redundancy	4	3.2
CC(1/2)	0.980	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	10% PEG 1500, 10% PEG 400, 0.1 M HEPES pH 7.5