1GPO

CRYSTAL STRUCTURE OF THE RATIONALLY DESIGNED ANTIBODY M41 AS A FAB FRAGMENT

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-03
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	96.470, 103.510, 113.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.950
R-factor	0.214
Rwork	0.214
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HYBRID FAB FRAGMENT CONSISTING OF THE MODELLED STRUCTURE FOR THE ARTIFICIAL FV FRAGMENT M41 AND CONSTANT DOMAINS OF THE ANTI-LYSOZYME ANTIBODY HYHEL-10
RMSD bond length	0.011
RMSD bond angle	28.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.065	0.215
Number of reflections	69136
Completeness [%]	84.6	50.2
Redundancy	2.6	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5	18 *	Schiweck, W., (1995) Proteins: Struct.,Funct., Genet., 23, 561. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulphate	2.0 (M)
2	1	reservoir	DMSO	5 (%(v/v))
3	1	reservoir	sodium cacodylate	100 (mM)