7L77

Crystal structure of broadly HIV-1-neutralizing antibody VRC33.01

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	2017-10-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	49.155, 70.839, 65.380
Unit cell angles	90.00, 99.80, 90.00

Refinement procedure

Resolution	29.214 - 1.543
R-factor	0.1528
Rwork	0.152
R-free	0.18650
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 (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.570
High resolution limit [Å]	1.540	4.180	1.540
Rmerge	0.079	0.044	0.520
Rmeas	0.093	0.052	0.636
Rpim	0.050	0.028	0.360
Total number of observations	219175
Number of reflections	62505	3224	2642
<I/σ(I)>	9.9
Completeness [%]	96.4	96.8	81.9
Redundancy	3.5	3.5	2.8
CC(1/2)		0.996	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	13% PEG3350, 10% Iso-propanol, Ammonium Citrate, pH 4.5