1ZBZ

High-Resolution Crystal Structure of Compound I intermediate of Cytochrome c Peroxidase (CcP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1999-07-06
Detector	MARRESEARCH
Wavelength(s)	0.78
Spacegroup name	P 21 21 21
Unit cell lengths	106.810, 74.810, 50.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.290
R-factor	0.1156
Rwork	0.116
R-free	0.15530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB Code 1ZBY
RMSD bond length	0.014
RMSD bond angle	0.029
Data reduction software	DENZO
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.310
High resolution limit [Å]	1.290	1.290
Number of reflections	102834
<I/σ(I)>	12.9	1.97
Completeness [%]	93.6	55.1
Redundancy	11.26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	30% 2-methyl-2,4-pentanediol (MPD), 50mM Tris-phosphate buffer, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K