8F0N

Wobble Beetroot (A16U-U38G) dimer bound to DFHO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	30.012, 50.353, 94.584
Unit cell angles	90.00, 95.70, 90.00

Refinement procedure

Resolution	47.060 - 2.850
R-factor	0.2004
Rwork	0.194
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8eyu
RMSD bond length	0.006
RMSD bond angle	1.151
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.120	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.295	1.186
Rmeas	0.321
Rpim	0.126
Number of reflections	6710	617
<I/σ(I)>	2.5
Completeness [%]	99.9	90.47
Redundancy	6.4	5.9
CC(1/2)	0.989	0.482

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	2.4 M Ammonium sulfate, 5% 2-propanol