2YCG

Structure of unreduced ferric cytochrome c peroxidase obtained by multicrystal method

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-20
Detector	RIGAKU-MSC SATURN 944+
Spacegroup name	P 21 21 21
Unit cell lengths	51.118, 75.600, 106.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.810
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xil
RMSD bond length	0.045
RMSD bond angle	0.029
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.380	1.900
High resolution limit [Å]	1.810	1.810
Rmerge	0.056	0.099
Number of reflections	35815
<I/σ(I)>	16.9	9.6
Completeness [%]	92.2	87.7
Redundancy	4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.5