2QA2

Crystal structure of CabE, an aromatic hydroxylase from angucycline biosynthesis, determined to 2.7 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-24
Detector	MAR CCD 165 mm
Spacegroup name	P 65 2 2
Unit cell lengths	133.100, 133.100, 166.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.830 - 2.700
R-factor	0.23633
Rwork	0.234
R-free	0.27428
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qa1
RMSD bond length	0.012
RMSD bond angle	1.403
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.097	0.518
Number of reflections	24379
<I/σ(I)>	16.22	4
Completeness [%]	99.1	99.9
Redundancy	6.8	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	20 % PEG 3350, 0.1M bis-tris propane, 0.2M Na/K-phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K