5LSQ

Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - I222 crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91739
Spacegroup name	I 2 2 2
Unit cell lengths	79.590, 97.750, 98.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.795 - 1.550
R-factor	0.1356
Rwork	0.135
R-free	0.15660
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.433
Data scaling software	Aimless (0.3.11)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.795	2.030	1.590
High resolution limit [Å]	1.550	1.970	1.550
Rmerge	0.091	1.041	0.798
Number of reflections	55915
<I/σ(I)>	19.2	3
Completeness [%]	99.9	89.6	99.9
Redundancy	13.2	12.3	13.8
CC(1/2)	0.999	0.802	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% polyethylene glycol, 0.1 M MMT buffer, pH7.5, 0.05 Sodium/potatssium tartrate, protein concentration 20mg/mL, 0.003 MnCl2