4S1R

Crystal structure of a VRC01-lineage antibody, 45-VRC01.H08.F-117225, in complex with clade A/E HIV-1 gp120 core

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-10-19
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	65.685, 68.196, 204.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.165 - 3.214
R-factor	0.2621
Rwork	0.261
R-free	0.28610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3se8
RMSD bond length	0.005
RMSD bond angle	1.070
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.260
High resolution limit [Å]	3.200	3.200
Rmerge	0.126	0.477
Number of reflections	14617
<I/σ(I)>	8.78	1.62
Completeness [%]	93.6	53.7
Redundancy	5	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	10% PEG 4000, 0.1M NaAcetate, 0.1M Tris-HCl, 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K