1LWL

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	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	2002-01-16
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	64.955, 75.313, 93.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.247
Rwork	0.202
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpp
RMSD bond length	0.006 *
RMSD bond angle	1.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.102 *	0.266 *
Total number of observations	115720 *
Number of reflections	21045
<I/σ(I)>	13.9	2.5
Completeness [%]	93.3	63.8
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	4 *	Citrate, PEG, KCl, DTT, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	citrate	0.1 (M)	pH5.5
2	1	reservoir		200 (mM)
3	1	reservoir	PEG8000	13 (%(w/v))