9GR6

PsiM in complex with SAH, high resolution

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	2023-06-27
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.7293
Spacegroup name	P 21 21 21
Unit cell lengths	49.895, 78.575, 84.013
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.920 - 0.930
R-factor	0.1464
Rwork	0.146
R-free	0.16040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.449
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.920	0.963
High resolution limit [Å]	0.930	0.930
Rmerge	0.086
Rmeas	0.090
Rpim	0.024
Number of reflections	221045	21902
<I/σ(I)>	12.3	0.57
Completeness [%]	99.9	99.95
Redundancy	13.4	13.5
CC(1/2)	0.998	0.448

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	20% PEG 8000, 200 mM MgCl2, 36 mM AMP, 100 mM Tris pH 8.5