1N0X

Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	171
Detector technology	CCD
Collection date	2000-05-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.965
Spacegroup name	P 1 21 1
Unit cell lengths	51.621, 184.358, 56.173
Unit cell angles	90.00, 103.05, 90.00

Refinement procedure

Resolution	45.000 - 1.800
R-factor	0.229
Rwork	0.220
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Fab domains from uncomplexed IgG1 b12 structure (1HZH)
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.450	1.810
High resolution limit [Å]	1.780	1.780
Number of reflections	84895
<I/σ(I)>	17.6	1.5
Completeness [%]	92.0	87.1
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	295.5	ammonium sulfate, lithium sulfate, CAPS buffer, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.5K