4RIR

Structural Analysis of the Unmutated Ancestor of the HIV-1 Envelope V2 Region Antibody CH58 Isolated From an RV144 HIV-1 Vaccine Efficacy Trial Vaccinee and Associated with Decreased Transmission Risk

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	93
Detector technology	CCD
Collection date	2012-10-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	53.723, 103.707, 101.188
Unit cell angles	90.00, 100.45, 90.00

Refinement procedure

Resolution	25.915 - 2.500
R-factor	0.2242
Rwork	0.220
R-free	0.28880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.943
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Number of reflections	33979
Completeness [%]	97.4	93.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	A drop composed of 0.3 ul protein and 0.3 ul 25 mM MES, pH 6.0, 1.5% PEG 3350 over a reservoir of 50 ul 24% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K