4Y1N

Oceanobacillus iheyensis group II intron domain 1 with iridium hexamine

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	PIXEL
Collection date	2014-08-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.105
Spacegroup name	P 1 21 1
Unit cell lengths	83.738, 131.200, 84.640
Unit cell angles	90.00, 91.71, 90.00

Refinement procedure

Resolution	44.438 - 3.000
R-factor	0.1861
Rwork	0.183
R-free	0.24580
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.339
Data reduction software	XDS (January 10, 2014)
Data scaling software	XDS (January 10, 2014)
Phasing software	SHELXDE (2013/2)
Refinement software	PHENIX ((phenix.refine: 1.9_1678))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.440	3.100
High resolution limit [Å]	3.000	3.000
Number of reflections	71447
<I/σ(I)>	17.68	1.77
Completeness [%]	99.1	98.77
Redundancy	6.8	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298.15	80 mM NaCl, 24 mM KCl, 5 mM MgCl2, 40 mM NaCacodylate, 18% MPD, 8 mM spermine-4HCl