7R74

Crystal structure of llama VHH antibody in complex with HIV-1 HXBC2 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	IMAGE PLATE
Collection date	2017-10-31
Detector	MAR scanner 300 mm plate
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	121.077, 87.403, 91.581
Unit cell angles	90.00, 109.12, 90.00

Refinement procedure

Resolution	49.560 - 2.760
R-factor	0.2145
Rwork	0.212
R-free	0.26990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3TMF
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	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmerge	0.139	0.112	0.368
Total number of observations	69593
Number of reflections	21712	1201	572
<I/σ(I)>	8.6
Completeness [%]	94.0	100	50.2
Redundancy	3.2	3.5	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.0 M Li2SO4 and 100 mM HEPES pH 7.5