3FMG

Structure of rotavirus outer capsid protein VP7 trimer in complex with a neutralizing Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10
Wavelength(s)	0.97918
Spacegroup name	P 41 3 2
Unit cell lengths	244.179, 244.179, 244.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.400
Rwork	0.224
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dbm
RMSD bond length	0.013
RMSD bond angle	1.900
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.520
High resolution limit [Å]	3.400	3.400
Rmerge	0.114	0.717
Number of reflections	34017
<I/σ(I)>	15.4	2.483
Completeness [%]	97.8	99.2
Redundancy	3.8	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	100 mM Na citrate, 5% PEG 4K, 200 mM NaCl, 0.1 mM CaCl2, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K