4KVC

2H2 Fab fragment of immature Dengue virus

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	2012-03-31
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03
Spacegroup name	P 2 21 21
Unit cell lengths	51.554, 81.711, 85.306
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 2.306
R-factor	0.1818
Rwork	0.179
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.590	2.340
High resolution limit [Å]	2.300	2.530	2.300
Rmerge	0.105	0.246	0.411
Number of reflections	16461
<I/σ(I)>	24.7
Completeness [%]	100.0	100	100
Redundancy	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	25% PEG 6000 0.1 M MES 0.2M NH4Cl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K