1RE9

CRYSTAL STRUCTURE OF CYTOCHROME P450-CAM WITH A FLUORESCENT PROBE D-8-AD (ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	105
Detector technology	CCD
Collection date	2002-02-27
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	64.565, 75.941, 92.403
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.450
R-factor	0.1621
Rwork	0.160
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpp
RMSD bond length	0.010
RMSD bond angle	0.030
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	1.510
High resolution limit [Å]	1.450	1.450
Number of reflections	76782
<I/σ(I)>	12.4	1.3
Completeness [%]	100.0	90
Redundancy	2.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	CITRATE, PEG, KCL, DTT, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K