1WQL

Cumene dioxygenase (cumA1A2) from Pseudomonas fluorescens IP01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL40B2
Synchrotron site	SPring-8
Beamline	BL40B2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-10-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9794
Spacegroup name	P 21 3
Unit cell lengths	147.036, 147.036, 147.036
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.650 - 2.200
R-factor	0.173
Rwork	0.173
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eg9
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	53807
<I/σ(I)>	17.7	6.5
Completeness [%]	99.8	100
Redundancy	15.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	298	PEG 3350, tri-lithium citrate tetrahydrate, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K