6T3R

Structure of Oceanobacillus iheyensis group II intron U-mutant (C289U/C358U/G385A) in the presence of K+, 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)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	89.458, 95.100, 222.402
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.850 - 3.570
R-factor	0.2138
Rwork	0.212
R-free	0.25040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3igi
Data reduction software	XDS (VERSION March 30, 2013)
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.14-3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.480	44.480	3.760
High resolution limit [Å]	3.567	11.280	3.570
Rmerge		0.044	0.798
Rmeas	0.157	0.054	0.921
Rpim	0.068	0.026	0.385
Total number of observations	108124	2777	16024
Number of reflections	22945	691	3305
<I/σ(I)>	9.4	23.6	2.5
Completeness [%]	98.7	84.8	99.3
Redundancy	4.7	4	4.8

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 potassium chloride, 10 mM lithium chloride, 4% PEG 8000