2O9Z

Crystal Structure of RebH, a FAD-dependent halogenase from Lechevalieria aerocolonigenes, the Apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97919
Spacegroup name	P 62
Unit cell lengths	114.786, 114.787, 230.584
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.129 - 2.494
R-factor	0.164
Rwork	0.161
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2AQJ monomer with no ligands
RMSD bond length	0.014
RMSD bond angle	1.407
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	DM (5.0)
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.129	30.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.131	0.066	0.432
Number of reflections	59677
<I/σ(I)>	24.484		8.095
Completeness [%]	100.0	100	100
Redundancy	12.8	13.5	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Protein Solution (18 mg/ml protein, 0.050 M sodium chloride, 0.010 M TRIS pH 8.0) mixed in a 1:1 ratio with the Well Solution (0.9 M K2HPO4, 0.5 M NaH2PO4) Cryoprotected with: well solution supplemented with up to 30% glycerol, vapor diffusion, hanging drop, temperature 277K