5UBY

Fab structure of anti-HIV-1 gp120 mAb 1A8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979460
Spacegroup name	C 1 2 1
Unit cell lengths	140.098, 40.121, 77.195
Unit cell angles	90.00, 104.89, 90.00

Refinement procedure

Resolution	44.736 - 2.600
R-factor	0.1907
Rwork	0.188
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fqq
RMSD bond length	0.009
RMSD bond angle	1.124
Data reduction software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.740	2.760
High resolution limit [Å]	2.600	2.600
Number of reflections	24889
<I/σ(I)>	19.87	2.16
Completeness [%]	99.7	100
Redundancy	4.15	4.18
CC(1/2)	0.999	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	18% (w/v) polyethylene glycol (PEG) 8000, 0.1 M HEPES pH 7.5