1PZ5

Structural basis of peptide-carbohydrate mimicry in an antibody combining site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	0.948
Spacegroup name	P 43 21 2
Unit cell lengths	69.310, 69.310, 198.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 1.800
R-factor	0.219
Rwork	0.219
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m71
RMSD bond length	0.006 *
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.042	0.120
Total number of observations	169601 *
Number of reflections	42148	2644 *
<I/σ(I)>	35.1	6.5
Completeness [%]	91.7	58.9
Redundancy	4.02 *	3.65

Crystallization Conditions

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