6FP3

The crystal structure of EncM complexed with dioxygen under 5 bar of oxygen pressure.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 2 2 2
Unit cell lengths	165.690, 175.144, 131.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.910 - 1.976
R-factor	0.1834
Rwork	0.182
R-free	0.21240
RMSD bond length	0.006
RMSD bond angle	0.863
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11rc1_2513: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.910
High resolution limit [Å]	1.975	1.975
Number of reflections	131502
<I/σ(I)>	7.3
Completeness [%]	98.6
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	295	0.1M HEPES-Na, 0.2M calcium acetate, 20% PEG 3350, pH 7.5