8OLY

Structure of Oceanobacillus iheyensis group II intron post first step of splicing in the presence of K+, 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	2021-11-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.96
Spacegroup name	P 21 21 21
Unit cell lengths	88.518, 94.686, 222.874
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.020 - 3.110
R-factor	0.20146
Rwork	0.200
R-free	0.23712
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.598
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.020	3.200
High resolution limit [Å]	3.100	3.100
Number of reflections	34101	3245
<I/σ(I)>	10.57
Completeness [%]	98.7
Redundancy	4.2
CC(1/2)	1.000	0.220

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		303.15	100 mM magnesium acetate, 100 mM potassium chloride, 10 mM lithium chloride, 50 mM HEPES sodium, pH 7.0, 3.5% PEG8000