5J02

Structure of the lariat form of a chimeric derivative of the Oceanobacillus iheyensis group II intron in the presence of NH4+, MG2+ and an inactive 5' exon.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	85.020, 100.600, 220.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.041 - 3.493
R-factor	0.2041
Rwork	0.203
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4faw
RMSD bond length	0.014
RMSD bond angle	0.383
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		3.580
High resolution limit [Å]	3.490	15.620	3.490
Rmerge	0.202	0.035	2.991
Rmeas	0.207	0.036	3.067
Total number of observations	548093
Number of reflections	24666	321	1737
<I/σ(I)>	12.32	60	1.2
Completeness [%]	99.7	96.4	96.2
Redundancy	22.2		20.4
CC(1/2)	1.000	1.000	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		301.15	50 mM Na-Cacodylate pH 6.5, 225 mM NH4Cl, 115 mM MgCl2, 22% MPD