4KTE

Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.03317
Spacegroup name	P 21 21 21
Unit cell lengths	42.710, 72.040, 175.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 1.800
R-factor	0.1662
Rwork	0.165
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.154
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.850
High resolution limit [Å]	1.800	15.000	1.800
Rmerge	0.062	0.024	0.497
Number of reflections	51192	61	3982
<I/σ(I)>	21.09	51.38	4.06
Completeness [%]	99.8	98.4	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.17M NH4SO4, 25.5%(w/v) PEG4000, 15%(v/v) Glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K