3N9G

Crystal structure of the Fab fragment of the human neutralizing anti-West Nile Virus MAb CR4354

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	54.741, 71.068, 118.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.531 - 1.434
R-factor	0.168
Rwork	0.167
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WAM homology model of variable domain + constant domain of PDB ID 3KYK
RMSD bond length	0.006
RMSD bond angle	1.128
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.430	1.430
Rmerge	0.072	0.542
Number of reflections	78075
<I/σ(I)>	13.6	1.63
Completeness [%]	90.8	39.4
Redundancy	6.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	reservoir solution: 20% PEG8000, 10mM MES buffer, pH6.0, 200mM Ca(OAc)2, starting protein concentration in drop: 8 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 293K