8PB8

PsiM in complex with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-01
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.8731
Spacegroup name	P 43
Unit cell lengths	62.200, 62.200, 154.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.710 - 2.531
R-factor	0.2007
Rwork	0.198
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.649
Data reduction software	XDS (20220110)
Data scaling software	XDS (20220110)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.710	2.622
High resolution limit [Å]	2.531	2.531
Rmerge	0.350	2.197
Rmeas	0.383	2.402
Rpim	0.154	0.965
Number of reflections	19419	1786
<I/σ(I)>	5.38	0.81
Completeness [%]	99.1	91.68
Redundancy	6	6
CC(1/2)	0.977	0.249

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	100 mM bis-Tris propane pH 7.0, 30% PEG 300, 15% PEG 1000