7S6R

Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with H5A mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	102.655, 105.907, 299.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.710 - 1.890
R-factor	0.1624
Rwork	0.161
R-free	0.19470
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7m8q
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	149.560	149.560	1.920
High resolution limit [Å]	1.890	10.330	1.890
Rmerge	0.107	0.061	1.010
Rmeas	0.116	0.067	1.095
Rpim	0.045	0.027	0.419
Total number of observations		10965	77436
Number of reflections	261001	1810	11780
<I/σ(I)>	10.5	28.5	1.5
Completeness [%]	99.5	99.6	91.6
Redundancy	6.7	6.1	6.6
CC(1/2)	0.997	0.997	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	295	20% PEG3350, 0.2 M sodium phosphate dibasic, pH 8.8