3FWI

Ferric camphor bound Cytochrome P450cam containing a selenocysteine as the 5th heme ligand, tetragonal crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98158
Spacegroup name	P 43 21 2
Unit cell lengths	63.580, 63.580, 243.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.950 - 2.400
R-factor	0.179
Rwork	0.176
R-free	0.23817
Structure solution method	Rigid Body in Refmac starting from pdb entry 1yrc
Starting model (for MR)	1yrc
RMSD bond length	0.020
RMSD bond angle	1.855
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.950	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.106	0.392
Number of reflections	19089
<I/σ(I)>		4.07
Completeness [%]	97.9	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	277	24 % PEG 4000, 250 mM KCl, 50 mM Tris HCl, cryoprotection by addition of 20 % glycerol, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K