9FN2

Crystal structure of the alkyltransferase ribozyme SAMURI co-crystallized with SAM

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 42
Unit cell lengths	75.444, 75.444, 73.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.740 - 2.900
R-factor	0.2056
Rwork	0.204
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.556
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.100	3.080
High resolution limit [Å]	2.900	2.900
Rmerge	0.051	1.180
Rmeas	0.052	1.223
Rpim	0.015	0.326
Number of reflections	9208	1471
<I/σ(I)>	24.9	2.4
Completeness [%]	99.9	100
Redundancy	13.9	14
CC(1/2)	1.000	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	50 mM MES pH6.5 100 mM NaCl 100 mM LiCl 15 mM MgCl2 39% MPD