2A1O

Crystal structure of ferrous dioxygen complex of T252A cytochrome P450cam

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Collection date	2005-03-31
Wavelength(s)	0.92
Spacegroup name	P 1 21 1
Unit cell lengths	67.260, 62.180, 95.220
Unit cell angles	90.00, 90.53, 90.00

Refinement procedure

Resolution	41.070 - 1.550
R-factor	0.197
Rwork	0.197
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dz4
RMSD bond length	0.005
RMSD bond angle	1.300
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.070	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	108552
<I/σ(I)>	27.8	2.3
Completeness [%]	95.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	288	PEG 4000, potassium chloride, Tris-HCl, D-camphor, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 288K