4R2G

Crystal Structure of PGT124 Fab bound to HIV-1 JRCSF gp120 core and to CD4

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	2013-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	164.406, 165.438, 229.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.647 - 3.283
R-factor	0.2098
Rwork	0.207
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.373
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.647	3.400
High resolution limit [Å]	3.283	3.283
Rmerge		0.870
Number of reflections	94587
<I/σ(I)>	15.7	2.2
Completeness [%]	98.3	95.9
Redundancy	6.7	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	2.4M ammonium sulphate, 0.1M Tris, 13% glycerol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K