5V34

Ethylene forming enzyme in complex with manganese, malic acid and L-arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.1272
Spacegroup name	P 32 2 1
Unit cell lengths	87.360, 87.360, 104.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.680 - 1.480
R-factor	0.1365
Rwork	0.135
R-free	0.16210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5v2t
RMSD bond length	0.010
RMSD bond angle	1.029
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1-2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.240	61.240	1.510
High resolution limit [Å]	1.480	8.110	1.480
Rmerge	0.084	0.067	1.054
Rmeas	0.091	0.073	1.133
Rpim	0.033	0.027	0.409
Number of reflections	75179
<I/σ(I)>	12.8
Completeness [%]	97.9	99.7	96.4
Redundancy	7.2	6.8	7.4
CC(1/2)	0.998	0.991	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277.15	0.2 ul 64 mg/ml EFE (+1 mM manganese chloride, 25 mM HEPES pH 8.0, 1 mM TCEP, +2.5 mM L-arginine) was mixed with 0.2 ul reservoir solution. The sitting drop reservoir of 50 ul contained 25% PEG 1500 and 0.1 M MMT buffer, pH 6.5. The crystal was soaked for about a minute in 25% w/v Polyethylene glycol 400, 75% reservoir solution before freezing it.