7BXQ

2-amino-3-ketobutyrate CoA ligase from Cupriavidus necator L-Threonine binding form

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	2019-12-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	58.708, 101.657, 69.854
Unit cell angles	90.00, 112.99, 90.00

Refinement procedure

Resolution	39.880 - 2.490
R-factor	0.1885
Rwork	0.185
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fc4
RMSD bond length	0.007
RMSD bond angle	0.887
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.900	2.580
High resolution limit [Å]	2.490	2.490
Number of reflections	26320	3770
<I/σ(I)>	16.3
Completeness [%]	99.8
Redundancy	10.2
CC(1/2)	0.998	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Lithium sulfate monohydrate, 0.1 M BIS-TRIS pH 6.5, 25% w/v PEG3350, 3% w/v D-(+)-Glucose monohydrate