6NCP

Crystal structure of HIV-1 broadly neutralizing antibody ACS202

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 65
Unit cell lengths	78.444, 78.444, 340.854
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.300 - 2.760
R-factor	0.2236
Rwork	0.222
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zyk
RMSD bond length	0.004
RMSD bond angle	0.844
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.310	2.810
High resolution limit [Å]	2.760	2.760
Rmerge	0.280	1.540
Rpim	0.090	0.470
Number of reflections	30474	1555
<I/σ(I)>	5.4
Completeness [%]	100.0	100
Redundancy	11.8	11.8
CC(1/2)	0.990	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.7	293	1.6 M ammonium sulfate, 0.1 M bicine, pH8.7