4FYZ

Crystal Structure of Nitrosyl Cytochrome P450cin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	70
Detector technology	CCD
Collection date	2002-01-01
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	64.176, 68.437, 104.047
Unit cell angles	90.00, 95.79, 90.00

Refinement procedure

Resolution	36.013 - 2.320
R-factor	0.1961
Rwork	0.193
R-free	0.25080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	P450cin wild-type (PDB ID:1T2B)
RMSD bond length	0.012
RMSD bond angle	1.155
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.400
High resolution limit [Å]	2.320	5.000	2.320
Number of reflections	37894
<I/σ(I)>	19.8
Completeness [%]	97.1	97.2	93.9
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	298	6-9% PEG 3350, 100mM Bis-Tris pH 6.2, 100mM Lithium Sulfate, 5mM Cineole, VAPOR DIFFUSION, SITTING DROP, temperature 298K