6M2I

Structure of the 2-Aminoisobutyric acid Monooxygenase Hydroxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-31
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	123.751, 206.684, 91.489
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.990 - 2.450
R-factor	0.1868
Rwork	0.184
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m1w
RMSD bond length	0.008
RMSD bond angle	0.986
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]	45.920	2.600
High resolution limit [Å]	2.450	2.450
Rmerge	0.089	0.471
Rmeas	0.113	0.593
Number of reflections	207203	13330
<I/σ(I)>	9.2	1.98
Completeness [%]	96.8	98.9
Redundancy	2.56	2.64
CC(1/2)	0.994	0.709

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