2XJ5

The structure of cytochrome c peroxidase Compound II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	51.050, 75.139, 106.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.140 - 1.690
R-factor	0.15912
Rwork	0.157
R-free	0.19717
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v2e
RMSD bond length	0.031
RMSD bond angle	2.377
Phasing software	CCP4
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	1.760	1.760
High resolution limit [Å]	1.670	1.670
Rmerge	0.100	0.270
Number of reflections	39037
<I/σ(I)>	5.4	2.4
Completeness [%]	83.5	75.8
Redundancy	2.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		KPI 50 MM PH 6.5, MPD 30% VOLUME