6XJY

Crystal structure of a self-alkylating ribozyme - short time incubation with the epoxide substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-02-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	85.603, 79.382, 106.067
Unit cell angles	90.00, 111.52, 90.00

Refinement procedure

Resolution	61.851 - 2.156
R-factor	0.2288
Rwork	0.227
R-free	0.28510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mwn
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.380	2.200
High resolution limit [Å]	2.156	2.160
Rmerge	0.135	1.867
Rmeas	0.153	2.148
Rpim	0.072	1.046
Number of reflections	69519	4237
<I/σ(I)>	7.1	0.7
Completeness [%]	97.4	91.5
Redundancy	4.4	4
CC(1/2)	0.996	0.295

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	295	0.1 M ammonium fluoride, 10% PEG3350, pH 6.2