7QTF

Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with sodium succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	63.894, 108.172, 115.033
Unit cell angles	90.00, 93.87, 90.00

Refinement procedure

Resolution	48.460 - 1.550
R-factor	0.1516
Rwork	0.150
R-free	0.17290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gqw
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	PHENIX (1.20-4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.720	78.720	1.630
High resolution limit [Å]	1.550	4.890	1.550
Rmerge	0.039	0.014	0.548
Rmeas	0.046	0.016	0.641
Rpim	0.024	0.008	0.329
Total number of observations	857403	27291	123600
Number of reflections	226503	7290	33039
<I/σ(I)>	19.4	61.1	2.4
Completeness [%]	99.8	99.3	99.9
Redundancy	3.8	3.7	3.7
CC(1/2)	1.000	1.000	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	310	36 % Tacsimate pH 7.0 soak: 15 min 375 mM Na succinate, 250 mM NaHCO3 Cryo: 100 % Tacsimate pH 7.0