1ZBY

High-Resolution Crystal Structure of Native (Resting) 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	1999-07-04
Detector	MARRESEARCH
Wavelength(s)	0.78
Spacegroup name	P 21 21 21
Unit cell lengths	106.673, 75.513, 50.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.200
R-factor	0.1132
Rwork	0.113
R-free	0.14950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cyp
RMSD bond length	0.015
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	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.071	0.437
Number of reflections	126775
<I/σ(I)>	12.2	1.99
Completeness [%]	96.8	74
Redundancy	10.05

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, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K