1IVL

THE DE NOVO DESIGN OF AN ANTIBODY COMBINING SITE: CRYSTALLOGRAPHIC ANALYSIS OF THE VL DOMAIN CONFIRMS THE STRUCTURAL MODEL

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	46.890, 58.050, 83.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.170
R-factor	0.175
Rwork	0.175
RMSD bond length	0.013
RMSD bond angle	1.700
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	2.170 *
Rmerge	0.060 *
Total number of observations	69140 *
Number of reflections	12009 *
Completeness [%]	91.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.75 *	16-22 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	reservoir	isopropanol	20 (%(v/v))
3	1	reservoir	PEG4000	20 (%(w/v))
4	1	reservoir	sodium citrate	0.1 (M)
5	1	reservoir	EDTA	0.1 (mM)
6	1	reservoir	sodium azide	0.01 (%(w/v))