7L79

Crystal structure of broadly HIV-1-neutralizing antibody VRC40.01

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	2016-02-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	62.792, 135.950, 136.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.916 - 2.826
R-factor	0.223
Rwork	0.220
R-free	0.27950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3se8
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (V1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.206	0.087	0.796
Rmeas	0.241	0.103	0.948
Rpim	0.124	0.055	0.508
Total number of observations	104728
Number of reflections	28072	1527	1338
<I/σ(I)>	4.2
Completeness [%]	98.5	97.3	98
Redundancy	3.7	3.3	3.3
CC(1/2)		0.991	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	10.6 % PEG 8000, 200 mM Zinc Acetate, Sodium Cacodylate, pH 6.5