8OM0

Structure of Oceanobacillus iheyensis group II intron in the presence of Na+, 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	2022-11-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.96
Spacegroup name	P 21 21 21
Unit cell lengths	88.813, 94.282, 223.875
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.350 - 3.610
R-factor	0.24067
Rwork	0.238
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	2.189
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.350	3.700
High resolution limit [Å]	3.600	3.600
Rmerge	0.043
Number of reflections	21633	2103
<I/σ(I)>	12.17
Completeness [%]	96.8
Redundancy	12.17
CC(1/2)	1.000	0.200

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		303.15	100 mM magnesium acetate, 100 mM sodium chloride, 50 mM HEPES sodium, pH 7.0, 5% PEG8000