1CMT

THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	108.000, 77.300, 51.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 - 2.100
R-factor	0.168
Rwork	0.168
RMSD bond length	0.013
RMSD bond angle	2.600
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.100 *
Rmerge	0.047 *
Total number of observations	60429 *
Number of reflections	23952 *
Completeness [%]	90.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6 *	4 *	Wang, J.M., (1990) Biochemistry, 29, 7160. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	potassium phosphate	50 (mM)
2	1	drop	MPD	20 (%(v/v))
3	1	reservoir	MPD	25 (%(v/v))