8PB6

PsiM in complex with SAH 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	49.226, 78.540, 83.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.270 - 0.930
R-factor	0.1385
Rwork	0.138
R-free	0.15180
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.162
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]	15.270	0.963
High resolution limit [Å]	0.930	0.930
Rmerge	0.088	2.682
Rmeas	0.092	2.785
Rpim	0.025	0.746
Number of reflections	217116	19758
<I/σ(I)>	11.39	0.45
Completeness [%]	99.1	91.74
Redundancy	13.5	13.7
CC(1/2)	0.999	0.399

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