7LVZ

Crystal structure of ADO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.127060
Spacegroup name	P 21 21 21
Unit cell lengths	54.296, 139.525, 142.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.170 - 1.890
R-factor	0.1925
Rwork	0.191
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ussA iTasser homology model residues 83-133 170-209
RMSD bond length	0.010
RMSD bond angle	0.868
Data reduction software	autoPROC (1.0.5 (20200520))
Data scaling software	XDS (Jan 31, 2020 (BUILT 20200417))
Phasing software	PHASER (1.19_4092)
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.170	1.958
High resolution limit [Å]	1.890	1.890
Rmerge	0.184	1.657
Rmeas	0.192	1.726
Rpim	0.052	0.478
Number of reflections	86883	4059
<I/σ(I)>	12.34	0.99
Completeness [%]	87.2	47.39
Redundancy	13.2	12.6
CC(1/2)	0.994	0.474

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Crystals were grown in a Coy anaerobic chamber.