9O56

Caldalkalibacillus thermarum Acyl-CoA dehydrogenase member 10 bound to ANP and magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	94.965, 95.891, 95.538
Unit cell angles	90.00, 114.09, 90.00

Refinement procedure

Resolution	36.890 - 2.150
R-factor	0.1864
Rwork	0.185
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.542
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.890	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.105	1.043
Rpim	0.048	0.524
Number of reflections	84386	4191
<I/σ(I)>	15.8	1.5
Completeness [%]	99.5	98.8
Redundancy	4.5	3.5
CC(1/2)	0.990	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.6	293	13% (w/v) PEG 4,000, 0.2 M ammonium sulfate, 0.1 M sodium acetate pH 3.6, 5 mM MgCl2, 1 mM AMP-PNP and 30% (w/v) ethylene glycol