3OL5

Crystal Structure of Cytochrome P450cam crystallized with a tethered substrate analog 3OH-AdaC1-C8-Dans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97607
Spacegroup name	P 21 21 21
Unit cell lengths	66.227, 74.563, 92.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.750
R-factor	0.1809
Rwork	0.179
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1re9
RMSD bond length	0.013
RMSD bond angle	1.412
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.124	46.374	1.840
High resolution limit [Å]	1.750	5.530	1.750
Rmerge	0.055	0.032	0.307
Total number of observations		5053	22097
Number of reflections	45228
<I/σ(I)>	17.4	19.9	2.5
Completeness [%]	96.7	87.4	94.2
Redundancy	3.6	3.6	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