6UUG

Structure of methanesulfinate monooxygenase MsuC from Pseudomonas fluorescens at 1.69 angstrom resolution

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	2019-08-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	81.187, 161.582, 62.045
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.045 - 1.685
R-factor	0.1864
Rwork	0.185
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xb8
RMSD bond length	0.006
RMSD bond angle	0.763
Data reduction software	XDS (VERSION Mar 15, 2019)
Data scaling software	XDS (VERSION Mar 15, 2019)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.045	1.790
High resolution limit [Å]	1.680	1.680
Rmeas	0.043
Rpim	0.017	0.479
Number of reflections	92686	14648
<I/σ(I)>	20.32	1.42
Completeness [%]	99.7	98.7
Redundancy	6.6	6.7
CC(1/2)	1.000	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1 M Tris (pH 8.5) 0.15 M CaCl2 30% (w/v) PEG 3350