6C8E

RNA-imidazolium-bridged intermediate complex, 4h soaking

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	99
Detector technology	CCD
Collection date	2017-04-04
Detector	MAR CCD 130 mm
Wavelength(s)	1
Spacegroup name	P 3 2 1
Unit cell lengths	49.023, 49.023, 81.317
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.460 - 1.800
R-factor	0.26822
Rwork	0.267
R-free	0.28970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dhc
RMSD bond length	0.028
RMSD bond angle	3.250
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.098	0.713
Rmeas	0.103	0.752
Rpim	0.033	0.236
Number of reflections	10695	1051
<I/σ(I)>	20.6	2.95
Completeness [%]	97.7	100
Redundancy	10.1	9.9
CC(1/2)	0.979	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	10% v/v (+/-)-2-Methyl-2,4-pentanediol, 0.040 M Sodium cacodylate trihydrate pH 7.0, 0.012 M Spermine tetrahydrochloride, 0.080 M Sodium chloride