8PB4

PsiM in complex with SAH and norbaeocystin, orthorhombic crystal form

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	49.234, 78.266, 83.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.390 - 0.910
R-factor	0.1444
Rwork	0.144
R-free	0.15580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.268
Data reduction software	xia2 (3.12.0)
Data scaling software	xia2 (3.12.0)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.390	0.943
High resolution limit [Å]	0.910	0.910
Rmerge	0.086	3.040
Rmeas	0.090	3.160
Rpim	0.024	0.857
Number of reflections	230836	20907
<I/σ(I)>	10.37	0.31
Completeness [%]	99.1	91.5
Redundancy	13.4	13.6
CC(1/2)	0.997	0.383

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