1Z8O

Ferrous dioxygen complex of the wild-type cytochrome P450eryF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	53.900, 78.640, 97.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.810 - 1.700
R-factor	0.194
Rwork	0.194
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jio
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.800	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	40708
Completeness [%]	88.1	94.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	288	Tris, Sodium Acetate, PEG 4000 , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K