1F4U

THERMOPHILIC P450: CYP119 FROM SULFOLOBUS SOLFACTARICUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1999-05-04
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	76.969, 70.258, 107.538
Unit cell angles	90.00, 102.35, 90.00

Refinement procedure

Resolution	49.030 - 2.690
R-factor	0.219
Rwork	0.219
R-free	0.25300
RMSD bond length	0.008
RMSD bond angle	21.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BRUTE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.115	0.661
Total number of observations	290670 *
Number of reflections	30499
<I/σ(I)>	6.8
Completeness [%]	97.4	92.4
Redundancy	2.76	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	free interface diffusion *	8	298	PEG, Imidazole, Li2SO4, pH 8.0, LIQUID DIFFUSION, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	40 (mg/ml)
2	1	2	PEG3350	35 (%)
3	1	2	imidazole	100 (mM)
4	1	2		0.2 (M)