3P6M

Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8-Dans

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	65.290, 74.600, 92.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.2073
Rwork	0.205
R-free	0.25080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.523
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.360	49.131	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.073	0.035	0.536
Total number of observations		3418	15573
Number of reflections	30637
<I/σ(I)>	10.2	12.7	1.3
Completeness [%]	98.7	95.5	98.7
Redundancy	3.5	3.3	3.5

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