6UTD

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

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	63.958, 65.630, 87.782
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.805 - 2.200
R-factor	0.2295
Rwork	0.228
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tgt
RMSD bond length	0.006
RMSD bond angle	0.894
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	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.113
Rpim	0.067	0.598
Number of reflections	17485	653
<I/σ(I)>	14.3	0.8
Completeness [%]	88.0	66.6
Redundancy	3.4
CC(1/2)	0.990	0.610

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