3P6P

Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-31
Detector	MARmosaic 325
Wavelength(s)	0.97945
Spacegroup name	P 21 21 21
Unit cell lengths	64.900, 74.963, 92.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.900
R-factor	0.2028
Rwork	0.201
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.397
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.222	26.547	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.064	0.036	0.397
Total number of observations		3601	18356
Number of reflections	35463
<I/σ(I)>	15.8	16.6	1.7
Completeness [%]	98.3	88.9	97.5
Redundancy	3.6	3.2	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting-drop vapor diffusion	6.5	279	12-22% PEG 8000, 0.1M Sodium cacodylate, pH 6.5, 0.1-0.2M KCl, sitting-drop vapor diffusion, temperature 279K