6T3S

Structure of Oceanobacillus iheyensis group II intron U-mutant (C289U/C358U/G385A) in the presence of Na+, Mg2+ and 5'-exon

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	2013-07-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979500
Spacegroup name	P 21 21 21
Unit cell lengths	89.890, 95.240, 227.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.890 - 3.280
R-factor	0.1983
Rwork	0.197
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fax
RMSD bond length	0.008
RMSD bond angle	1.792
Data reduction software	XDS (VERSION March 30, 2013)
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.893	48.893	3.460
High resolution limit [Å]	3.279	10.370	3.280
Rmerge		0.033	0.995
Rmeas	0.089	0.041	1.197
Rpim	0.035	0.018	0.467
Total number of observations	201533	5974	28777
Number of reflections	30804	1079	4434
<I/σ(I)>	15.8	42.3	2.5
Completeness [%]	99.9	98.1	99.8
Redundancy	6.5	5.5	6.5

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