1A3R

FAB FRAGMENT (ANTIBODY 8F5) COMPLEXED WITH PEPTIDE FROM HUMAN RHINOVIRUS (SEROTYPE 2) VIRAL CAPSID PROTEIN VP2 (RESIDUES 156-170)

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1991-11-20
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	71.790, 76.320, 92.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.171
Rwork	0.171
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bbd
RMSD bond length	0.005
RMSD bond angle	27.900 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.070 *
Number of reflections	28392
Completeness [%]	94.6	90.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	4 *	FAB-PEPTIDE COMPLEX WAS CRYSTALLIZED FROM 0.9 M SODIUM CITRATE, 25 MM SODIUM CHLORIDE, 50 MM TRIS-HCL, PH 7.75, pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Fab	7.0 (mg/ml)
2	1	drop	oligonucleotide	1.1 (mg/ml)
3	1	drop	sodium citrate	0.45 (M)
4	1	drop		25 (mM)
5	1	drop	Tris	50 (mM)
6	1	reservoir	sodium citrate	0.9 (M)