7JV3

Crystal structure of alkanesulfonate monooxygenase MsuD 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	2019-08-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	94.650, 210.050, 94.760
Unit cell angles	90.00, 119.57, 90.00

Refinement procedure

Resolution	64.790 - 2.800
R-factor	0.1824
Rwork	0.180
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nqk
RMSD bond length	0.003
RMSD bond angle	0.607
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.790	64.790	2.870
High resolution limit [Å]	2.800	12.520	2.800
Rmerge	0.084	0.037	0.865
Rmeas	0.095	0.041	1.008
Total number of observations	353339
Number of reflections	75178	810	5636
<I/σ(I)>	12.33	35.76	1.6
Completeness [%]	94.9	87.2	96.2
Redundancy	4.7	5.162	3.011
CC(1/2)	0.998	0.999	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291.15	PEG 3350, sodium acetate