8QCH

Human Adenosine deaminase-like protein in complex with compound AT8001

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980
Spacegroup name	P 21 21 2
Unit cell lengths	142.757, 142.983, 156.399
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	105.530 - 2.442
R-factor	0.2157
Rwork	0.214
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.900
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.752	2.484
High resolution limit [Å]	2.442	2.442
Rmerge	0.363	3.973
Rmeas	0.383	4.180
Rpim	0.119	1.289
Number of reflections	119069	5876
<I/σ(I)>	7.2	1
Completeness [%]	100.0	100
Redundancy	10.2	10.5
CC(1/2)	0.988	0.350

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	2000 mM Ammonium sulfate 100 mM Sodium cacodylate/HCl 200 mM Sodium chloride