1C5C

DECARBOXYLASE CATALYTIC ANTIBODY 21D8-HAPTEN COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	74
Detector technology	IMAGE PLATE
Collection date	1997-07-01
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	39.217, 43.932, 221.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.610
R-factor	0.1934
R-free	0.25100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1FRG AND 1GAF
RMSD bond length	0.008 *
RMSD bond angle	2.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MERLOT
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.670
High resolution limit [Å]	1.610	1.610
Rmerge	0.054 *	0.421 *
Total number of observations	176796 *
Number of reflections	49213
<I/σ(I)>	20.5	3.38
Completeness [%]	96.6	98.8
Redundancy	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.5 *	22.5 *	pH 6.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	26 (mM)
2	1	drop	sodium acetate	50 (mM)
3	1	reservoir	mPEG5000	21.5 (%(w/v))
4	1	reservoir	sodium acetate	100 (mM)