8PB7

PsiM in complex with sinefungin and baeocystin

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	49.371, 78.244, 83.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.410 - 0.920
R-factor	0.1464
Rwork	0.146
R-free	0.16120
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.105
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]	15.410	0.953
High resolution limit [Å]	0.920	0.920
Rmerge	0.082	2.596
Rmeas	0.086	2.696
Rpim	0.023	0.721
Number of reflections	224244	21394
<I/σ(I)>	10.88	0.33
Completeness [%]	99.5	96.22
Redundancy	13.5	13.6
CC(1/2)	0.999	0.441

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