7EKK

Anti-HIV-1 broadly neutralizing antibody delta-loop 4E10 modified with pyrene acetamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97953
Spacegroup name	C 1 2 1
Unit cell lengths	157.981, 44.800, 85.949
Unit cell angles	90.00, 113.63, 90.00

Refinement procedure

Resolution	34.400 - 1.700
R-factor	0.1597
Rwork	0.158
R-free	0.19150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cin
RMSD bond length	0.012
RMSD bond angle	1.617
Data reduction software	MOSFLM (7.2.1)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.400	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.095	0.345
Number of reflections	57219	6629
<I/σ(I)>	6.8	2.3
Completeness [%]	94.2
Redundancy	2.5
CC(1/2)	0.988	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 4,000 30% Ammonium sulphate 200 mM