1YEK

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	1996-03-19
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	78.730, 78.730, 159.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.000 - 2.100
R-factor	0.2
Rwork	0.200
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yec
RMSD bond length	0.010
RMSD bond angle	28.540 *
Data reduction software	MOSFLM (5.2)
Data scaling software	Agrovata
Phasing software	AMoRE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.071 *	0.401 *
Total number of observations	84756 *
Number of reflections	33481
<I/σ(I)>	9.5	1.8
Completeness [%]	98.7	97.7
Redundancy	2.5	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	18 *	PRECIPITANT: 30% (W/V) PEG 600, 100MM CACODYLATE PH 6.0, 40MM ZN ACETATE, VAPOR DIFFUSION, HANGING DROP

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)