5MOF

Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - I222 crystal form in complex with manganese and 2-oxoglutarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97960
Spacegroup name	I 2 2 2
Unit cell lengths	79.484, 97.850, 98.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.277 - 1.450
R-factor	0.1726
Rwork	0.172
R-free	0.18940
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5lun
RMSD bond length	0.004
RMSD bond angle	0.727
Data reduction software	xia2
Data scaling software	Aimless (0.5.1)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.280	69.280	1.540
High resolution limit [Å]	1.450	4.350	1.450
Rmerge	0.110	0.033	1.521
Rmeas	0.120
Rpim	0.047
Total number of observations	430728
Number of reflections	67866
<I/σ(I)>	10.8		2
Completeness [%]	100.0	100	100
Redundancy	6.3	6.4	6.1
CC(1/2)	0.998	0.995	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	17-20% PEG 3350, 100mM Bis-Tris Phosphate, 100mM Sodium potassium phosphate, 3mM manganese chloride, 10mM 2-oxoglutarate