6YDI

XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, diferrous state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE MFX
Synchrotron site	SLAC LCLS
Beamline	MFX
Temperature [K]	298
Detector technology	CCD
Collection date	2018-12-08
Detector	RAYONIX MX340-HS
Wavelength(s)	1.30448
Spacegroup name	P 41 21 2
Unit cell lengths	106.946, 106.946, 303.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.710 - 1.950
R-factor	0.1757
Rwork	0.175
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yd0
Data reduction software	cctbx.xfel
Data scaling software	cxi.merge
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.710	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	128981	12716
<I/σ(I)>	27.519
Completeness [%]	100.0	99.7
Redundancy	80.49
CC(1/2)	0.949	0.175

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	30 mM Sodium-Iodide, 30 mM Sodium-Bromide, 30 mM Sodium-Fluoride, 20% (v/v) Glycerol, 10% (w/v) PEG 4000, 100 mM HEPES/MOPS pH 7.5 10 mM Iron(III) chloride