1S73

Crystal Structure of Mesopone Cytochrome c Peroxidase (R-isomer) [MpCcP-R]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	115
Detector technology	IMAGE PLATE
Collection date	2002-09-11
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	106.980, 76.149, 51.155
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.530
Rwork	0.183
R-free	0.20160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WTCCP - ultra-high resolution structure
RMSD bond length	0.006
RMSD bond angle	2.386
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	1.560
High resolution limit [Å]	1.530	1.530
Rmerge	0.050	0.171
Number of reflections	62259
<I/σ(I)>	50	5.83
Completeness [%]	97.2	73.8
Redundancy	13.1	3.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	tris-phosphate buffer, 2-methyl-2,4-pentanediol, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 277K