6SNE

crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	65.686, 144.644, 409.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.630 - 3.900
R-factor	0.2201
Rwork	0.218
R-free	0.26060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.167
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.630	4.090
High resolution limit [Å]	3.900	3.900
Rmerge	0.144	0.555
Number of reflections	35232	3519
<I/σ(I)>	7	2.7
Completeness [%]	96.2
Redundancy	4.2
CC(1/2)	0.995	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M HEPES pH 7.5 9 % PEG 8000 8 % Ethylene glycol 10 mM Mn Cl2