4JDT

Crystal structure of chimeric germ-line precursor of NIH45-46 Fab in complex with gp120 of 93TH057 HIV-1

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	2012-10-17
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	65.664, 69.815, 207.768
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.710 - 3.260
R-factor	0.229
Rwork	0.227
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u7y 3u7w
RMSD bond length	0.010
RMSD bond angle	1.642
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.711	3.430
High resolution limit [Å]	3.256	3.260
Rmerge	0.075	0.789
Number of reflections	15409
Completeness [%]	98.4	91.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	298	PEG 10000, ammonium sulfate, Bis-Tris, isopropanol , pH 6.5, VAPOR DIFFUSION, temperature 298K