6FOW

The crystal structure of EncM complexed with dioxygen under 10 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	166.210, 174.852, 132.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.713 - 2.040
R-factor	0.1936
Rwork	0.192
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xlo
RMSD bond length	0.005
RMSD bond angle	0.755
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]	49.040	49.040
High resolution limit [Å]	2.030	2.030
Number of reflections	117300
<I/σ(I)>	7.1
Completeness [%]	96.4
Redundancy	3.5

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