9FMK

PsiM N247A 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	2023-06-27
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.7293
Spacegroup name	P 21 21 21
Unit cell lengths	49.738, 78.406, 83.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.260 - 1.010
R-factor	0.1401
Rwork	0.140
R-free	0.16140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.423
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.260	1.050
High resolution limit [Å]	1.010	1.010
Number of reflections	171703	16930
<I/σ(I)>	8.98
Completeness [%]	99.8
Redundancy	13.4
CC(1/2)	0.997	0.380

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