6O3K

Crystal structure of the unbound Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	52.358, 64.984, 68.005
Unit cell angles	90.00, 105.81, 90.00

Refinement procedure

Resolution	35.514 - 1.451
R-factor	0.1577
Rwork	0.156
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o3d
RMSD bond length	0.003
RMSD bond angle	0.926
Data reduction software	HKL-2000 (2.3.10)
Data scaling software	HKL-2000 (2.3.10)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.514	1.480
High resolution limit [Å]	1.450	1.450
Rpim	0.039	0.615
Number of reflections	74084	2908
<I/σ(I)>	10.1	1.1
Completeness [%]	95.4	75.4
Redundancy	2.8	1.7
CC(1/2)	0.865	0.495

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Reservoir: 30% PEG 2000 MME, 0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate