6O3G

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).

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	2017-02-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	113.530, 113.530, 300.536
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.133 - 3.645
R-factor	0.2617
Rwork	0.260
R-free	0.28910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o3d
RMSD bond length	0.003
RMSD bond angle	0.881
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]	44.133	3.710
High resolution limit [Å]	3.645	3.645
Rpim	0.091	0.434
Number of reflections	24133	1203
<I/σ(I)>	7.3	1.8
Completeness [%]	93.1	95.2
Redundancy	5.2	4.5
CC(1/2)	0.878	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	Reservoir: 20 % PEG 4000, 20% glycerol, 0.08 M sodium acetate pH 4.6, 0.16 M ammonium sulfate