8PB3

PsiM in complex with SAH and norbaeocystin, monoclinic 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	C 1 2 1
Unit cell lengths	166.040, 48.853, 115.452
Unit cell angles	90.00, 131.40, 90.00

Refinement procedure

Resolution	20.690 - 1.180
R-factor	0.1835
Rwork	0.183
R-free	0.19610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.306
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]	20.690	1.222
High resolution limit [Å]	1.180	1.180
Rmerge	0.124	2.954
Rmeas	0.129	3.060
Rpim	0.035	0.797
Number of reflections	225046	19200
<I/σ(I)>	8.25	0.31
Completeness [%]	97.2	84.57
Redundancy	14.1	14.5
CC(1/2)	0.996	0.374

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