8D54

anti HIV gp120/CD4 complex antibody CG10 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	75.137, 77.801, 84.025
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.900 - 1.400
Rwork	0.169
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cmh
Data reduction software	TRUNCATE
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (v1.19.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.900	1.420
High resolution limit [Å]	1.400	1.400
Rmerge		1.510
Rpim		0.430
Number of reflections	97069	4660
<I/σ(I)>	19.6	1.7
Completeness [%]	99.5
Redundancy	13.3
CC(1/2)	0.990	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	14% (w/v) PEG 4,000, 0.1M MES (pH 6.6)