4E8V

Structure of Oceanobacillus iheyensis group II intron in a ligand-free state in the presence of K+ and Ba2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.4850
Spacegroup name	P 21 21 21
Unit cell lengths	88.727, 96.548, 227.673
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.908 - 3.995
R-factor	0.2992
Rwork	0.297
R-free	0.34550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3igi
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	113.837	4.210
High resolution limit [Å]	3.990	3.990
Rmerge	0.069	0.787
Number of reflections	16781
<I/σ(I)>	9.4	1.5
Completeness [%]	98.3	98.2
Redundancy	3.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	303	100 mM potassium acetate, 100 mM potassium chloride, 150 mM barium chloride, 50 mM HEPES sodium, pH 7.0, 6% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 303K