6NNJ

Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to CH31 scFv in Complex with Crystallization Chaperones 3H109L Fab and 35O22 scFv at 3.1 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	2017-02-17
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	132.150, 132.150, 315.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.256 - 2.600
R-factor	0.25
Rwork	0.248
R-free	0.29260
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.090	0.042	2.523
Rmeas	0.098	0.046	2.760
Rpim	0.039	0.018	1.119
Total number of observations	316746
Number of reflections	51287	4452	22
<I/σ(I)>	6.9
Completeness [%]	58.0	99.2	0.5
Redundancy	6.2	6.3	5.8
CC(1/2)		0.998	0.349

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	90 mM imidazole pH 6.5, 90 mM MgCl2, 0.6 M NaCl and 6% PEG 3,350