6SNC

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 MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-10
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 43 21 2
Unit cell lengths	136.762, 136.762, 146.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.000 - 3.200
R-factor	0.2149
Rwork	0.213
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.305
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.088	1.235
Number of reflections	23542	2291
<I/σ(I)>	21.6	1.7
Completeness [%]	99.7	99.48
Redundancy	9.6	9.9
CC(1/2)	0.999	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Hepes pH 7.5 11 % (w/v) PEG 4000