4XMP

Crystal structure of broadly and potently neutralizing antibody VRC08 in complex with HIV-1 clade A strain Q842.d12 gp120

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	CCD
Collection date	2013-02-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	69.713, 82.496, 163.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.499 - 1.783
R-factor	0.1664
Rwork	0.165
R-free	0.20120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3se9 4j6r
RMSD bond length	0.008
RMSD bond angle	1.085
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_1702)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.095	0.075	0.602
Rmeas	0.105	0.084	0.681
Rpim	0.043	0.038	0.311
Total number of observations	528269
Number of reflections	88301
<I/σ(I)>	10.3		2.32
Completeness [%]	97.9	97.8	89.9
Redundancy	6	5	4.2
CC(1/2)		0.991	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	13% PEG 1500, 2% MPD, 0.1M Tris-HCl, pH 8.5