7QTE

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000040
Spacegroup name	C 2 2 21
Unit cell lengths	116.077, 142.910, 109.072
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.240 - 1.810
R-factor	0.1538
Rwork	0.153
R-free	0.17580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gqw
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER
Refinement software	PHENIX (1.20-44590)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	109.070	109.070	1.910
High resolution limit [Å]	1.810	5.730	1.810
Rmerge	0.146	0.045	1.265
Rmeas	0.151	0.047	1.319
Rpim	0.041	0.013	0.371
Total number of observations	1117345	38040	149153
Number of reflections	82190	2782	11869
<I/σ(I)>	14.9	43.3	2.3
Completeness [%]	100.0	99.9	100
Redundancy	13.6	13.7	12.6
CC(1/2)	0.999	0.999	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Morpheus B7