7QTG

Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00630
Spacegroup name	P 21 21 2
Unit cell lengths	117.923, 108.229, 65.373
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.740 - 2.695
R-factor	0.242
Rwork	0.240
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gqw
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.740	2.840
High resolution limit [Å]	2.695	2.700
Rmerge	0.110	1.022
Number of reflections	23401	3412
<I/σ(I)>	18.4
Completeness [%]	98.2	100
Redundancy	14.2	14.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	310	Anaerobically: 60 % Tacsimate pH 7.0, 10 mM Imidazole, 30 mM NaCl, 1.5 mM Fe(II)SO4, 1.5 mM alpha-ketoglutarate, 1.5 mM ascorbate, 2.5 mM PL-CD6 (substrate) Cryo-protechtion: 10 % (2R,3R)-butane-2,3-diol