9NTK

Chimeric Adenosine deaminase growth factor (ADGF) in complex with pentostatin monophosphate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 1 21 1
Unit cell lengths	92.834, 118.477, 109.546
Unit cell angles	90.00, 98.49, 90.00

Refinement procedure

Resolution	29.630 - 2.530
R-factor	0.2127
Rwork	0.212
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.879
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.630	2.590
High resolution limit [Å]	2.530	2.530
Rpim	0.163	0.985
Number of reflections	76443	5236
<I/σ(I)>	4.6
Completeness [%]	97.4
Redundancy	2.5	2.5
CC(1/2)	0.960	0.372

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.2 M Magnesium chloride hexahydrate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350