2FEU

P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-07
Detector	ADSC QUANTUM 4
Spacegroup name	P 1 21 1
Unit cell lengths	67.130, 62.230, 94.710
Unit cell angles	90.00, 90.64, 90.00

Refinement procedure

Resolution	19.800 - 1.700
R-factor	0.214
Rwork	0.214
R-free	0.23800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1dz4
RMSD bond length	0.007
RMSD bond angle	1.390
Data scaling software	XSCALE
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	1.850
High resolution limit [Å]	1.700	1.700
Rmerge	0.057	0.376
Number of reflections	83714
<I/σ(I)>	17	4.48
Completeness [%]	95.2	90.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	277	7.5 MG/ML P450, 25 MM POTASSIUM PHOSPHATE, 250 MM KCL, 100 UM CAMPHOR, 50 MM TRIS, 13.5-15% PEG8000, 100 UM CAMPHOR, 50 MM DTE, pH 7.40, VAPOR DIFFUSION, SITTING DROP, temperature 277K