6U76

Structure of methanesulfinate monooxygenase MsuC from Pseudomonas fluorescens.

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	2018-12-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	80.554, 162.411, 61.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.700 - 2.100
R-factor	0.1871
Rwork	0.186
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xb8
RMSD bond length	0.002
RMSD bond angle	0.396
Data reduction software	HKL-2000 (2.3.12)
Data scaling software	HKL-2000 (2.3.12)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	2.180
High resolution limit [Å]	2.100	2.100
Rmeas	0.085	0.910
Rpim	0.027	0.307
Number of reflections	47163	4625
<I/σ(I)>	26.7	1.14
Completeness [%]	99.2	98.8
Redundancy	9.5	7.9
CC(1/2)	0.996	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1 M Tris (pH 8.5) 0.1 M MgCl2 15% (w/v) PEG 3350