1LLI

THE CRYSTAL STRUCTURE OF A MUTANT PROTEIN WITH ALTERED BUT IMPROVED HYDROPHOBIC CORE PACKING

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Spacegroup name	P 1 21 1
Unit cell lengths	37.150, 68.900, 56.790
Unit cell angles	90.00, 92.20, 90.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.196
Rwork	0.196
RMSD bond length	0.015
RMSD bond angle	3.000
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000 *
High resolution limit [Å]	2.100 *	2.100 *
Rmerge		0.261 *
Completeness [%]	99.7 *	99.4 *
Redundancy	4.4 *	3.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	20 *	Jordan, S.R. et al.(1985). Science, 230, 1383-1385. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG400	20 (%(v/v))
2	1	reservoir	PEG400	20 (%(v/v))