9NTG

Helix pomatia AMP deaminase (HPAMPD) in complex with Pentostatin

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	2023-06-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 1 21 1
Unit cell lengths	76.128, 81.983, 212.016
Unit cell angles	90.00, 92.27, 90.00

Refinement procedure

Resolution	20.000 - 1.630
R-factor	0.1576
Rwork	0.156
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.944
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]	20.000	1.660
High resolution limit [Å]	1.630	1.630
Rpim	0.063	0.617
Number of reflections	313765	14025
<I/σ(I)>	7.3	1.1
Completeness [%]	96.9
Redundancy	4.4
CC(1/2)	0.997	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M BIS-TRIS pH 6.5, 20% w/v Polyethylene glycol monomethyl ether 5,000