9F6S

PDZ domain in complex with the peptide from AP2-associated protein kinase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	36.930, 37.840, 52.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.680 - 1.000
R-factor	0.2004
Rwork	0.200
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.069
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.680	1.036
High resolution limit [Å]	1.000	1.000
Rmerge	0.039	2.353
Number of reflections	39979	3611
<I/σ(I)>	24.56	0.75
Completeness [%]	98.9
Redundancy	12
CC(1/2)	1.000	0.466

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Sodium chloride, 2.0 M Ammonium sulfate, 0.1 M Sodium cacodylate 6.5