8RUM

Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+, and intronistat B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.96
Spacegroup name	P 21 21 21
Unit cell lengths	89.149, 94.834, 224.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.070 - 3.620
R-factor	0.17601
Rwork	0.172
R-free	0.24169
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	2.116
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.070	3.748
High resolution limit [Å]	3.600	3.600
Number of reflections	22380	2183
<I/σ(I)>	12.57
Completeness [%]	99.8
Redundancy	6.3
CC(1/2)	1.000	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		303.15	100 mM Mg-Acetate, 200 mM KCl, 50 mM LiCl, 50 mM Na-HEPES pH 7.0, 4% PEG 8000