1M7I

CRYSTAL STRUCTURE OF A MONOCLONAL FAB SPECIFIC FOR SHIGELLA FLEXNERI Y LIPOPOLYSACCHARIDE COMPLEXED WITH A PENTASACCHARIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	281
Detector technology	IMAGE PLATE
Collection date	1990-06-02
Detector	FUJI
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	70.510, 70.510, 203.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.22
Rwork	0.220
R-free	0.27900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mcp
RMSD bond length	0.007 *
RMSD bond angle	1.400 *
Data reduction software	WEIS
Data scaling software	WEIS
Phasing software	MERLOT
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.660
High resolution limit [Å]	2.500	2.500
Rmerge	0.097
Total number of observations	108148 *
Number of reflections	14375
<I/σ(I)>	10
Completeness [%]	79.6	55.2
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	Vyas, M.N., (1993) J. Mol. Biol., 231, 133. *