4L5F

Crystal Structure of DENV1-E106 Fab bound to DENV-1 Envelope protein DIII

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-01
Detector	NOIR-1
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	82.661, 91.823, 92.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.998 - 2.450
R-factor	0.1921
Rwork	0.190
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.822
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.540
High resolution limit [Å]	2.450	5.250	2.450
Rmerge	0.083	0.051	0.546
Number of reflections	26014
<I/σ(I)>	13.8
Completeness [%]	99.5	100	95.9
Redundancy	6.4	6.8	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	293	14 mg/mL in a well solution of 22% PEG 6000, and 0.1 M MES pH 5.0 (final pH 5.7), VAPOR DIFFUSION, HANGING DROP, temperature 293K