5IGX

Crystal structure of NIH45-46 Fab germline precursor in complex with 426c.TM1deltaV1-3 gp120

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	2013-03-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9541
Spacegroup name	F 2 2 2
Unit cell lengths	146.284, 168.533, 176.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.167 - 3.390
R-factor	0.2801
Rwork	0.280
R-free	0.28610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jdv
RMSD bond length	0.008
RMSD bond angle	1.453
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.170	39.170	3.660
High resolution limit [Å]	3.390	8.970	3.390
Rmerge	0.120	0.032	0.591
Rmeas	0.125
Rpim	0.034
Total number of observations	204811
Number of reflections	15282
<I/σ(I)>	15.8
Completeness [%]	99.7	99	99.1
Redundancy	13.4	12.7	13.2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M sodium citrate pH 5.5, 22% (w/v) PEG 1,000, 3% (w/v) xylitol