5V2U

Ethylene forming enzyme apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	42.968, 86.833, 91.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.416 - 2.058
R-factor	0.1883
Rwork	0.186
R-free	0.24510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5v2t
RMSD bond length	0.003
RMSD bond angle	0.616
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
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]	45.910	45.910	2.110
High resolution limit [Å]	2.058	8.970	2.058
Rmerge	0.141	0.052	0.496
Rmeas	0.164	0.063	0.577
Rpim	0.081	0.036	0.288
Number of reflections	21539
<I/σ(I)>	9.6
Completeness [%]	98.1	94.1	98.2
Redundancy	3.7	3	3.6
CC(1/2)	0.989	0.982	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277.15	0.5 ul 72 mg/ml EFE (25 mM HEPES pH 8.0, 1 mM TCEP) was mixed with 0.5 ul reservoir solution. The sitting drop reservoir of 200 ul contained 0.2 M lithium chloride, 0.1 M Tris-HCl pH 8.0, 20% w/v Polyethylene glycol 6,000. The crystal was direcly frozen.