7Z6U

Pim1 in complex with (E)-4-((6-amino-2-oxoindolin-3-ylidene)methyl)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	97.797, 97.797, 80.067
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.190 - 2.280
R-factor	0.1632
Rwork	0.162
R-free	0.19080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ndt
RMSD bond length	0.008
RMSD bond angle	0.805
Data reduction software	XDS (1.02)
Data scaling software	XDS (1.02)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.899	2.410
High resolution limit [Å]	2.280	2.280
Number of reflections	19985	3159
<I/σ(I)>	27.9	5.28
Completeness [%]	99.8	98.9
Redundancy	11.4	11.6
CC(1/2)	1.000	1.000

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 MgOAc