9FMJ

PsiM N247M in complex with sinefungin 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	2023-09-15
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	P 21 21 21
Unit cell lengths	49.648, 78.436, 83.616
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.980 - 0.950
R-factor	0.1265
Rwork	0.126
R-free	0.13820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.468
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.980	0.984
High resolution limit [Å]	0.950	0.950
Number of reflections	194867	13529
<I/σ(I)>	15.39
Completeness [%]	94.9
Redundancy	12.4
CC(1/2)	0.999	0.510

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