7Q82

Crystal structure of the methyltransferase-ribozyme 1, Thallium derivative (with 1-methyl-adenosine)

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	2021-06-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9751
Spacegroup name	P 41 21 2
Unit cell lengths	71.983, 71.983, 84.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.590 - 2.950
R-factor	0.21
Rwork	0.209
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7q7x
RMSD bond length	0.001
RMSD bond angle	0.310
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.590	3.060
High resolution limit [Å]	2.950	2.950
Rmerge	0.102
Number of reflections	5037	487
<I/σ(I)>	18.01	0.81
Completeness [%]	99.9	100
Redundancy	24.9	26.7
CC(1/2)	0.999	0.366

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	36-42% MPD, 50mM MES (pH 6.5), 10mM sodium acetate, 100mM lithium acetate, 10mM magnesium acetate, 25mM thallium acetate