4S1Q

Crystal structure of a VRC01-lineage antibody, 45-VRC01.H03+06.D-001739, 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	2013-02-15
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	66.179, 78.925, 194.214
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.355 - 2.400
R-factor	0.2211
Rwork	0.219
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3se8
RMSD bond length	0.004
RMSD bond angle	0.956
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	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.094	0.470
Number of reflections	39180
<I/σ(I)>	12.4	1.63
Completeness [%]	96.3	80.4
Redundancy	3.7	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	10% PEG 8000, 0.1M Tris-HCl 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K