8AQ8

FAD-dependent monooxygenase from Stenotrophomonas maltophilia

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9180
Spacegroup name	P 1 21 1
Unit cell lengths	52.932, 160.535, 95.563
Unit cell angles	90.00, 95.91, 90.00

Refinement procedure

Resolution	48.260 - 1.950
R-factor	0.2022
Rwork	0.200
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6n04
RMSD bond length	0.009
RMSD bond angle	1.498
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	2.010
High resolution limit [Å]	1.950	1.950
Rmerge	0.138	1.531
Rmeas	0.156	1.702
Rpim	0.070	0.729
Number of reflections	98291	4915
<I/σ(I)>	8.6	1.1
Completeness [%]	85.3	48.5
Redundancy	4.8	5.2
CC(1/2)	0.997	0.378

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	12% (w/v) PEG 8000, 24% (v/v) ethylene glycol, 60 mM sodium nitrate, 60 mM disodium hydrogen phosphate, 60 mM ammonium sulfate, 100 mM MES/imidazole pH 6.5, 4% acetone