5T33

Crystal structure of strain-specific glycan-dependent CD4 binding site-directed neutralizing antibody CAP257-RH1, in complex with HIV-1 strain RHPA gp120 core with an oligomannose N276 glycan.

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	2014-08-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	68.176, 71.139, 190.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.658 - 3.209
R-factor	0.2308
Rwork	0.229
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jzz 4hpy 1nl0
RMSD bond length	0.002
RMSD bond angle	0.563
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.270
High resolution limit [Å]	3.200	7.880	3.200
Rmerge	0.102	0.059	0.381
Number of reflections	13003
<I/σ(I)>	9.6
Completeness [%]	81.9	96.4	33.1
Redundancy	3.5	3.5	2.3
CC(1/2)		0.994	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298.15	0.1M HEPES (pH7.5) 8% PEG4000 10% Isopropanol 200U/mL Endo H 25% 2-Methyl-2,4-pentanediol as cryoprotectant