6XJZ

Crystal structure of a self-alkylating ribozyme - apo form

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]	80
Detector technology	PIXEL
Collection date	2018-06-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	87.505, 82.419, 105.213
Unit cell angles	90.00, 111.00, 90.00

Refinement procedure

Resolution	81.695 - 2.488
R-factor	0.2029
Rwork	0.200
R-free	0.26380
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]	162.730	2.500
High resolution limit [Å]	2.460	2.460
Rmerge	0.119
Rmeas	0.141	2.711
Rpim	0.076	1.519
Number of reflections	47938	4672
<I/σ(I)>	6	0.5
Completeness [%]	98.4	95.5
Redundancy	3.3	2.8
CC(1/2)	0.994	0.347

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