1Z8P

Ferrous dioxygen complex of the A245S 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	53.940, 78.470, 96.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.450 - 1.850
R-factor	0.201
Rwork	0.201
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jio
RMSD bond length	0.005
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]	44.450	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	34653
Completeness [%]	96.6	99.8

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