5DH7

Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-G12A mutant in Mn2+

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]	100
Detector technology	PIXEL
Collection date	2015-07-15
Detector	PSI PILATUS 6M
Wavelength(s)	1.8923
Spacegroup name	C 2 2 21
Unit cell lengths	81.309, 85.825, 103.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.655 - 3.064
R-factor	0.2053
Rwork	0.200
R-free	0.25220
RMSD bond length	0.001
RMSD bond angle	0.376
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.130
High resolution limit [Å]	3.000	3.000
Rmerge	0.135	0.252
Number of reflections	12239
<I/σ(I)>	26.5	6
Completeness [%]	92.9	70.2
Redundancy	4.4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	33 % MPD, 0.4 M potassium chloride, 50 mM potassium acetate pH 5.0, 10 mM MgCl2, and 0.5mM spermine