1SOG

Cyrstal Structure of Cytochrome c Peroxidase Mutant: CcPK2M2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-01-24
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	106.790, 75.860, 51.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.850
R-factor	0.1681
Rwork	0.166
R-free	0.20140
Structure solution method	rigid body refinement with wild-type structure
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.034	0.071
Number of reflections	35885
<I/σ(I)>	46.83	28.89
Completeness [%]	99.1	99.9
Redundancy	10.32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	MPD, Tris-phosphate, 18crown6, 15crown5, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K