7QTD

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

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	2009-12-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000000
Spacegroup name	P 1 21 1
Unit cell lengths	64.124, 108.215, 116.408
Unit cell angles	90.00, 94.75, 90.00

Refinement procedure

Resolution	63.900 - 1.750
R-factor	0.1417
Rwork	0.141
R-free	0.16460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gqw
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.5.17)
Phasing software	MOLREP
Refinement software	PHENIX (1.20-4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	108.210	108.210	1.840
High resolution limit [Å]	1.750	5.520	1.750
Rmerge	0.067	0.027	0.557
Rmeas	0.078	0.032	0.651
Rpim	0.040	0.017	0.335
Total number of observations	606869	19228	87796
Number of reflections	160147	5188	23289
<I/σ(I)>	13.5	36.9	2.4
Completeness [%]	99.9	99.7	100
Redundancy	3.8	3.7	3.8
CC(1/2)	0.998	0.999	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	310	34% Tacsimate pH 7.0