6D7K

Complex structure of Methane monooxygenase hydroxylase in complex with inhibitory subunit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	273
Detector technology	CCD
Collection date	2017-10-20
Detector	MAR CCD 130 mm
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	179.781, 125.776, 126.380
Unit cell angles	90.00, 102.89, 90.00

Refinement procedure

Resolution	22.289 - 2.600
R-factor	0.1798
Rwork	0.178
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mhy
RMSD bond length	0.008
RMSD bond angle	0.891
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.590	2.590
Rmerge	0.124	0.793
Number of reflections	84164
<I/σ(I)>	12.8
Completeness [%]	99.5	98.9
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	10% (w/v) PEG 8000, 20% (v/v) ethylene glycol, 0.02 M of alcohols mix (1,6-hexanediol, 1-butanol, (RS)-1,2-propanediol, 2-propanol, 1,4-butanediol, and 1,3-propanediol), 0.1 M MES/imidazole buffer (pH 6.5) and 1,3-butanediol