7R73

Crystal structure of llama VHH antibody D7 in complex with HIV-1 gp120 core

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	2017-07-31
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	130.543, 61.954, 63.976
Unit cell angles	90.00, 108.16, 90.00

Refinement procedure

Resolution	31.440 - 1.760
R-factor	0.1812
Rwork	0.179
R-free	0.21540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t33
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.19-4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.790
High resolution limit [Å]	1.750	4.320	1.750
Rmerge	0.073	0.060	0.358
Rmeas	0.086	0.072	0.464
Rpim	0.045	0.038	0.290
Total number of observations	147850
Number of reflections	44467	3154	1697
<I/σ(I)>	16.7
Completeness [%]	92.7	95.6	53.2
Redundancy	3.3	3.5	1.8
CC(1/2)		0.987	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M to Tris HCl pH 8.5 and 21% PEG8000. Cryoprotectant is 20% ethylend glycol with N-protone oil