9FN3

Crystal structure of the alkyltransferase ribozyme SAMURI co-crystalized with ProSeDMA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-11
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.979
Spacegroup name	P 42
Unit cell lengths	75.444, 75.444, 72.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.920 - 2.900
R-factor	0.2015
Rwork	0.201
R-free	0.22400
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.552
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol (1.20.1_4487)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.920	3.080
High resolution limit [Å]	2.900	2.900
Rmerge	0.060	2.112
Rmeas	0.065	2.270
Rpim	0.020	0.593
Number of reflections	18088	2901
<I/σ(I)>	22.1	1.2
Completeness [%]	99.9	100
Redundancy	14	14.6
CC(1/2)	0.999	0.591

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