6T3K

Structure of Oceanobacillus iheyensis group II intron G-mutant (C289G/C358G/G385C) in the presence of K+, 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)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	88.659, 95.453, 224.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.460 - 3.440
R-factor	0.2117
Rwork	0.209
R-free	0.25710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4far
RMSD bond length	0.009
RMSD bond angle	1.894
Data reduction software	XDS (VERSION March 30, 2013)
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.460	48.458	3.630
High resolution limit [Å]	3.440	10.880	3.440
Rmerge		0.015	1.508
Rmeas	0.081	0.021
Rpim	0.044	0.011	0.862
Number of reflections	24334	775	3528
<I/σ(I)>	17	30.6	0.4
Completeness [%]	94.1	87.3	95
Redundancy	3.3	3.2	3.2

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