1C5B

DECARBOXYLASE CATALYTIC ANTIBODY 21D8 UNLIGANDED FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-02-01
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	39.258, 43.345, 59.500
Unit cell angles	88.02, 79.10, 89.92

Refinement procedure

Resolution	40.000 - 2.100
R-factor	0.188
Rwork	0.188
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1FRG AND 1GAF
RMSD bond length	0.015 *
RMSD bond angle	27.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MERLOT
Refinement software	CNS (0.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.094 *	0.434 *
Total number of observations	46419 *
Number of reflections	20181
<I/σ(I)>	11.3	2.83
Completeness [%]	91.8 *	90.8 *
Redundancy	2.2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	22.5 *	21.5% (W/V) MPEG 5000 IN 0.1 M NAOAC AT PH 5.5 MIXED 1:1 WITH 20MG/ML PROTEIN, VAPOR DIFFUSION, SITTING DROP, temperature 297.5K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	26 (mg/ml)
2	1	drop	sodium acetate	50 (mM)
3	1	reservoir	mPEG5000	33 (%(v/v))
4	1	reservoir	imidazole malate	100 (mM)
5	1	reservoir	2-acetamido-1,5-naphthalane disulfonate		tenfold molar excess