5F89

Structure of the Unliganded Fab from HIV-1 Neutralising Antibody CAP248-2B that Binds to the gp120 C-terminus - gp41 Interface

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	2014-06-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	43.002, 68.280, 85.731
Unit cell angles	95.59, 99.82, 102.54

Refinement procedure

Resolution	41.822 - 2.784
R-factor	0.2309
Rwork	0.228
R-free	0.27860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.812
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.780	7.590	2.780
Rmerge	0.108	0.036	0.400
Rmeas	0.153	0.051	0.565
Rpim	0.108	0.036	0.400
Total number of observations	38175
Number of reflections	20522
<I/σ(I)>	6.4		1.44
Completeness [%]	88.9	97.7	57.9
Redundancy	1.9	1.9	1.6
CC(1/2)		0.994	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298.15	7.5% PEG4000 12.5% Isopropanol 0.1M Sodium Citrate pH5.6 Cryoprotectant: 30% Ethylene Glycol