8ZAU

Crystal structure of a methyl transferase ribozyme mutant - C29U and A59G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-20
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.97918
Spacegroup name	P 2 2 21
Unit cell lengths	49.400, 52.588, 100.784
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.200 - 2.430
R-factor	0.2414
Rwork	0.239
R-free	0.28350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.603
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.590	2.560
High resolution limit [Å]	2.430	2.430
Rmerge	0.121	0.666
Rpim	0.065	0.398
Number of reflections	18690	1429
<I/σ(I)>	12.6
Completeness [%]	99.3
Redundancy	7.1
CC(1/2)	0.996	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.08 M Potassium chloride 0.02 M Barium chloride dihydrate 0.04 M Sodium cacodylate trihydrate pH 6.8 32% v/v (+/-)-2-Methyl-2,4-pentanediol 0.012 M Spermine tetrahydrochloride