8PB5

PsiM in complex with sinefungin and norbaeocystin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-04
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	P 21 21 21
Unit cell lengths	49.211, 78.348, 83.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.920 - 0.890
R-factor	0.1394
Rwork	0.139
R-free	0.15150
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.232
Data reduction software	xia2 (3.12.0)
Data scaling software	xia2 (3.12.0)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.920	0.922
High resolution limit [Å]	0.890	0.890
Rmerge	0.095	4.420
Rmeas	0.097	4.504
Rpim	0.019	0.859
Number of reflections	247003	23421
<I/σ(I)>	13.39	0.39
Completeness [%]	99.4	95.79
Redundancy	26.9	27.1
CC(1/2)	0.999	0.431

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	100 mM Tris/HCl pH 8.5, 20% PEG 8000, 200 mM MgCl2