9ECG

PANK3 complex structure with compound PZ-5588

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	2024-10-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9202
Spacegroup name	P 31 2 1
Unit cell lengths	98.431, 98.431, 68.795
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.219 - 2.092
R-factor	0.1965
Rwork	0.194
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.509
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.219	2.128
High resolution limit [Å]	2.092	2.092
Rmerge	0.113
Number of reflections	23058	1114
<I/σ(I)>	13.4	1.2
Completeness [%]	100.0	100
Redundancy	12.9	11.9
CC(1/2)	0.999	0.404

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	PEG 4000, ammonium acetate, citrate