8R1T

Pim1 in complex with 4-(4-aminophenethyl)benzoic acid and Pimtide

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	2021-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 65
Unit cell lengths	97.007, 97.007, 80.295
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.220 - 2.000
R-factor	0.1599
Rwork	0.159
R-free	0.17950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.739
Data reduction software	XDS (3.1.9)
Data scaling software	XDS (3.1.9)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	2.010
High resolution limit [Å]	2.000	2.000
Number of reflections	28946	4616
<I/σ(I)>	29.2
Completeness [%]	99.4
Redundancy	11.5
CC(1/2)	1.000	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291.15	100 mM bis-tris-propane (pH 7.0), 10% ethylene glycol, 0.3% DMSO, 20% PEG3350, 200 mM Mg(OAc)2