6M1W

Structure of the 2-Aminoisobutyric acid Monooxygenase Hydroxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-12
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	0.9791
Spacegroup name	C 2 2 21
Unit cell lengths	125.490, 208.050, 90.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.120 - 2.750
R-factor	0.1926
Rwork	0.190
R-free	0.25030
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.085
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.120	2.910
High resolution limit [Å]	2.750	2.750
Rmerge	0.118	0.503
Rmeas	0.130	0.551
Number of reflections	59603	9588
<I/σ(I)>	12.04	3.1
Completeness [%]	99.8	99.3
Redundancy	5.79	5.93
CC(1/2)	0.996	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris/HCl (pH 8.5), 1 M ammonium sulfate and 12% (v/v) glycerol