1CPG

A CATION BINDING MOTIF STABILIZES THE COMPOUND I RADICAL OF CYTOCHROME C PEROXIDASE

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	105.170, 74.180, 45.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.164
Rwork	0.164
RMSD bond length	0.010
RMSD bond angle	2.700
Phasing software	X-PLOR
Refinement software	TNT

Data quality characteristics

	Overall
High resolution limit [Å]	2.200 *
Rmerge	0.055 *
Total number of observations	71833 *
Number of reflections	16458 *
Completeness [%]	87.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6 *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	potassium phosphate	0.10 (M)
3	1	drop	MPD	40 (%(v/v))
4	1	reservoir	MPD	30 (%(v/v))