5LUN

Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - P1 ultra-high resolution crystal form in complex with iron, N-oxalylglycine and arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 1
Unit cell lengths	49.839, 79.056, 97.859
Unit cell angles	91.56, 93.42, 100.80

Refinement procedure

Resolution	77.597 - 1.080
R-factor	0.1631
Rwork	0.162
R-free	0.18480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lsq
RMSD bond length	0.011
RMSD bond angle	1.394
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.600	1.120
High resolution limit [Å]	1.080	1.080
Rmerge	0.053	0.822
Number of reflections	584165
<I/σ(I)>	7.7	1.4
Completeness [%]	93.0	89.3
Redundancy	3.5	3.5
CC(1/2)	0.994	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	20% polyethylene glycol, 0.1 M Tris, 0.2 M sodium chloride, 0.01 M N-oxalylglycine, 0.02 M L-Arginine, protein concentration 15mg/mL