7JYB

Binary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	94.200, 214.380, 95.200
Unit cell angles	90.00, 119.13, 90.00

Refinement procedure

Resolution	83.160 - 2.760
R-factor	0.182
Rwork	0.180
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jv3
RMSD bond length	0.002
RMSD bond angle	0.555
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]	83.160	83.160	2.830
High resolution limit [Å]	2.760	12.320	2.760
Rmerge	0.106	0.043	0.988
Rmeas	0.116	0.047	1.078
Number of reflections	83520	969	5925
<I/σ(I)>	10.81	26.12	1.83
Completeness [%]	98.1	97.8	94.1
Redundancy	6.193	5.934	6.19
CC(1/2)	0.997	0.998	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291.15	PEG 3350, sodium succinate