7D7S

HIV-1 SF2 Nef in complex with the Fyn SH3 R96I mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-11
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.98011
Spacegroup name	P 64 2 2
Unit cell lengths	122.110, 122.110, 145.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.680 - 3.320
R-factor	0.28763
Rwork	0.286
R-free	0.29953
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d8d
RMSD bond length	0.008
RMSD bond angle	1.203
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.680	3.460
High resolution limit [Å]	3.320	3.324
Rmerge	0.218	9.136
Rmeas	0.219	9.163
Rpim	0.018	0.710
Number of reflections	9209	461
<I/σ(I)>	33.6	1.1
Completeness [%]	94.6	42.1
Redundancy	155.4	165.4
CC(1/2)	1.000	0.486

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.10 M calcium acetate hydrate, 0.10 M sodium acetate buffer (pH 4.5), 10% w/v PEG 4000