4P9H

Crystal structure of 8ANC195 Fab in complex with gp120 of 93TH057 HIV-1 and soluble CD4 D1D2

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	2013-08-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	66.529, 132.492, 142.769
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.220 - 3.000
R-factor	0.237
Rwork	0.235
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p9m 3lqa
RMSD bond length	0.020
RMSD bond angle	1.105
Data reduction software	XDS (0.1.26)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.220		3.170
High resolution limit [Å]	2.900	8.970	2.990
Rmerge	0.133		0.656
Rpim	0.060
Number of reflections	36730
<I/σ(I)>	9.7		2.1
Completeness [%]	98.9	98.8	93.9
Redundancy	6.4		5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.3	298	PEG 3350, HEPES, benzamidine