4JPV

Crystal structure of broadly and potently neutralizing antibody 3bnc117 in complex with hiv-1 gp120

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-05
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	68.627, 69.887, 231.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.966 - 2.827
R-factor	0.2025
Rwork	0.199
R-free	0.25930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3se9
RMSD bond length	0.004
RMSD bond angle	0.876
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.105	0.510
Number of reflections	27017
<I/σ(I)>	14.1	2.1
Completeness [%]	98.4	87.1
Redundancy	4.1	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES, 11% PEG 8000, 7% ethylene glycol , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K