4FAU

Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, 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	CCD
Collection date	2011-11-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	89.796, 95.830, 227.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.880 - 2.870
R-factor	0.19806
Rwork	0.196
R-free	0.23179
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3igi
RMSD bond length	0.007
RMSD bond angle	2.632
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.940
High resolution limit [Å]	2.870	2.870
Rmerge	0.038	0.640
Number of reflections	42600
<I/σ(I)>	18.1	1.7
Completeness [%]	98.5	98.5
Redundancy	3.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	303	100 mM magnesium acetate, 100 mM lithium chloride, 50 mM HEPES sodium, pH 7.0, 3% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 303K