4NPY

Crystal structure of germline Fab PGT121, a putative precursor of the broadly reactive and potent HIV-1 neutralizing antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03320
Spacegroup name	P 21 21 21
Unit cell lengths	53.720, 54.900, 320.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.837 - 1.796
R-factor	0.1838
Rwork	0.182
R-free	0.21990
Structure solution method	PHASER
Starting model (for MR)	4jy6
RMSD bond length	0.007
RMSD bond angle	1.162
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.796	1.796
Rmerge	0.074	0.503
Number of reflections	89562
<I/σ(I)>	9.3	1.3
Completeness [%]	96.7	93.1
Redundancy	3.3	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M magnesium acetate, 20% w/v PEG8000, 0.1 M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K