8UCG

Thermophilic RNA Ligase from Palaeococcus pacificus K92A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953725
Spacegroup name	P 2 21 21
Unit cell lengths	80.793, 99.699, 142.477
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.880 - 1.860
R-factor	0.2087
Rwork	0.207
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.814
Data reduction software	Zanuda (v.7.1)
Data scaling software	XDS (v.7.1)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.880	1.926
High resolution limit [Å]	1.860	1.860
Rmerge	0.074	0.849
Number of reflections	97092	9589
<I/σ(I)>	17.65
Completeness [%]	99.9	99.89
Redundancy	13.8	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	80 mM strontium chloride hexahydrate, 20 mM magnesium chloride hexahydrate, 40 mM sodium cacodylate trihydrate pH 6.5, 20% v/v (+/-)-2-methyl-2,4-pentanediol, 12 mM spermine tetrahydrochloride