1FIG

ROUTES TO CATALYSIS: STRUCTURE OF A CATALYTIC ANTIBODY AND COMPARISON WITH ITS NATURAL COUNTERPART

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	37.100, 63.300, 178.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 3.000
R-factor	0.22
Rwork	0.220
RMSD bond length	0.017
RMSD bond angle	4.060
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	3.000 *
Rmerge	0.086 *
Total number of observations	19033 *
Number of reflections	8660 *
Completeness [%]	95.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.25 *	22.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.62 (M)
2	1	reservoir	PIPES	0.06 (M)