5I8E

Crystal Structure of Broadly Neutralizing HIV-1 Fusion Peptide-Targeting Antibody VRC34.01 Fab

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	2015-03-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	I 4
Unit cell lengths	114.606, 114.606, 174.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.314 - 2.655
R-factor	0.1891
Rwork	0.186
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jpi
RMSD bond length	0.010
RMSD bond angle	1.532
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.740
High resolution limit [Å]	2.650	5.710	2.650
Rmerge	0.123	0.084	0.807
Rmeas	0.144
Rpim	0.072
Total number of observations	100033
Number of reflections	30065
<I/σ(I)>	12.9
Completeness [%]	92.9	88.9	95.1
Redundancy	3.3	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2M Zinc Acetate, 0.1M Sodium Cacodylate pH6.5 and 15% PEG 8000