6T3N

Structure of Oceanobacillus iheyensis group II intron G-mutant (C289G/C358G/G385C) in the presence of Na+, Mg2+ and 5'-exon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	89.895, 95.271, 217.844
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.150 - 3.220
R-factor	0.1849
Rwork	0.182
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3igi
RMSD bond length	0.009
RMSD bond angle	1.958
Data reduction software	XDS (VERSION March 30, 2013)
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.150	32.150	3.390
High resolution limit [Å]	3.219	10.180	3.220
Rmerge		0.038	0.542
Rmeas	0.089	0.051	0.695
Rpim	0.039	0.025	0.302
Total number of observations	147818	2756	22187
Number of reflections	30536	698	4451
<I/σ(I)>	14.5	32.4	2.4
Completeness [%]	98.6	65.3	99.7
Redundancy	4.8	3.9	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	303	50 mM Na-HEPES pH 7.0, 100 mM magnesium acetate, 150 mM sodium chloride, 4% PEG 8000