4S1S

Crystal structure of a VRC01-lineage antibody, 45-VRC01.H5.F-185917, in complex with clade A/E HIV-1 gp120 core

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	IMAGE PLATE
Collection date	2013-03-28
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	55.386, 67.662, 266.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.496 - 3.390
R-factor	0.2636
Rwork	0.262
R-free	0.29960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3se8
RMSD bond length	0.003
RMSD bond angle	0.904
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	3.460
High resolution limit [Å]	3.390	3.400
Rmerge	0.068	0.499
Number of reflections	14247
<I/σ(I)>	14.4	1.63
Completeness [%]	97.2	82.8
Redundancy	4.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	12% PEG 8000, 5% iso-propanol, 0.1M HEPES, 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K