4NUG

Crystal structure of HIV-1 broadly neutralizing antibody PGT151

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-11
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	118.645, 66.977, 84.552
Unit cell angles	90.00, 133.91, 90.00

Refinement procedure

Resolution	33.489 - 1.862
R-factor	0.1613
Rwork	0.159
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fx7
RMSD bond length	0.006
RMSD bond angle	1.095
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.500	1.890
High resolution limit [Å]	1.860	1.860
Number of reflections	39140
<I/σ(I)>	29.2	4.6
Completeness [%]	97.2
Redundancy	3.4	74.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.2	293.15	40% PEG 3350, 0.1M phosphate-citrate, pH 4.2, VAPOR DIFFUSION, temperature 293.15K