1KN2

CATALYTIC ANTIBODY D2.3 COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	278
Detector technology	IMAGE PLATE
Collection date	1998-12-08
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	78.275, 78.275, 158.952
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.213 *
Rwork	0.213
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yec
RMSD bond length	0.010
RMSD bond angle	1.720 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.85)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.070 *	0.439 *
Total number of observations	111500 *
Number of reflections	43212
<I/σ(I)>	12	2.3
Completeness [%]	95.5	97.6
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	18 *	Gigant, B., (1998) J. Mol. Biol., 284, 741. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG600	30 (%(v/v))
3	1	reservoir	zinc acetate	40 (mM)
4	1	reservoir	cacodylate	100 (mM)