6O3J

Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41) and phosphatidic acid (06:0 PA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	181.859, 43.931, 154.526
Unit cell angles	90.00, 92.49, 90.00

Refinement procedure

Resolution	44.097 - 3.416
R-factor	0.217
Rwork	0.214
R-free	0.26450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o3d
RMSD bond length	0.002
RMSD bond angle	0.530
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 ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.100	3.480
High resolution limit [Å]	3.416	3.416
Rpim	0.110	0.466
Number of reflections	15913	810
<I/σ(I)>	6.6	1.8
Completeness [%]	93.4	95.3
Redundancy	4.4	4.4
CC(1/2)	0.875	0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293.15	Reservoir: 0.1 M sodium acetate pH 5.5, 12% 2-methyl-2,4-pentanediol