6WIX

Crystal Structure of HIV-1 MI369 RnS-DS.SOSIP Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2018-12-07
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	131.860, 131.860, 316.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.390 - 2.670
R-factor	0.2271
Rwork	0.225
R-free	0.26970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tvp
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.600
High resolution limit [Å]	2.560	6.940	2.560
Rmerge	0.097	0.027	2.100
Rmeas	0.111	0.031	2.526
Rpim	0.053	0.015	1.380
Total number of observations	236565
Number of reflections	62697	5026	729
<I/σ(I)>	5.9
Completeness [%]	62.7	99.3	14.6
Redundancy	3.8	4	2
CC(1/2)		0.997	0.141

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	0.18M LiSO4, 0.09M Imidazole pH 6.5, 4.5% MPD, 7.425% PEG3350