6R47

The structure of pistol ribozyme bound to magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	94
Detector technology	PIXEL
Collection date	2017-03-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9686
Spacegroup name	P 61
Unit cell lengths	94.309, 94.309, 96.031
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	81.670 - 3.100
R-factor	0.1762
Rwork	0.176
R-free	0.18020
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	iMOSFLM
Data scaling software	pointless
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.670	3.310
High resolution limit [Å]	3.100	3.100
Rmerge	0.067
Number of reflections	8853	1592
<I/σ(I)>	9.4
Completeness [%]	99.7
Redundancy	3.9
CC(1/2)	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	0.01 M Magnesium sulphate heptahydrate 0.05 M Sodium cacodylate trihydrate pH 6.0 1.8 M Lithium sulphate monohydrate