1KOK

Crystal Structure of Mesopone Cytochrome c Peroxidase (MpCcP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2000-11-03
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	107.011, 76.091, 51.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.700
Rwork	0.186
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Wild Type Cytochrome c Peroxdiase - Ultra-high resolution structure
RMSD bond length	0.008
RMSD bond angle	1.258
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.046	0.207
Total number of observations	423704 *
Number of reflections	46346
<I/σ(I)>	37.41	4.9756
Completeness [%]	99.1 *	90.1
Redundancy	9.142	4.41

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6	277	Sundaramoorthy, M., (1991) J.Am.Chem.Soc., 113, 7755. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	10 (mg/ml)
2	1	2	potassium phosphate	0.05 (M)	pH6.0
3	1	2	MPD	25 (%)