6VBQ

Crystal structure of anti-HIV-1 antibody DH822 bound to gp120 V2 peptide

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	2017-07-13
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 31
Unit cell lengths	75.072, 75.072, 312.874
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.678 - 2.116
R-factor	0.1819
Rwork	0.181
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hk0
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.14_3228)
Refinement software	PHENIX (1.14_3228)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.116	2.116
Rpim	0.053	0.304
Number of reflections	112193	7725
<I/σ(I)>	13.6
Completeness [%]	99.7
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	292	18% 2-propanol, 20% PEG 4000, 0.1M sodium citrate pH 5.5