6B3D

Crystal structure of anti-HIV antibody PGT128 in complex with a bacterially derived synthetic mimetic of Man9.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	72.137, 105.204, 145.306
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.326 - 2.271
R-factor	0.1648
Rwork	0.163
R-free	0.19770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tv3
RMSD bond length	0.003
RMSD bond angle	0.667
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.270
Rpim	0.029
Number of reflections	25900
<I/σ(I)>	22.7
Completeness [%]	99.8
Redundancy	11.8
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293.15	0.085 M HEPES pH 7.5, 8.5% isopropanol, 10% ethylene glycol, 15% glycerol, and 17% PEG 4000