7S6S

Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL1

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	2021-03-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	102.730, 105.710, 299.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.670 - 1.980
R-factor	0.1559
Rwork	0.154
R-free	0.18850
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7m8q
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.670	73.670	2.010
High resolution limit [Å]	1.980	10.840	1.980
Rmerge	0.152	0.037	1.424
Rmeas	0.168	0.041	1.577
Rpim	0.071	0.017	0.664
Total number of observations	1139865	7464	55172
Number of reflections	222638	1451	10950
<I/σ(I)>	7.6	20.3	1.6
Completeness [%]	98.5	95.6	98.8
Redundancy	5.1	5.1	5
CC(1/2)	0.994	0.998	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1% PEG3350 and 0.2 M Na2HPO4 pH 6.6