8DCA

RNA ligase RtcB from Pyrococcus horikoshii in complex with Co2+ and GTP

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	2021-10-31
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.6060
Spacegroup name	P 21 21 21
Unit cell lengths	81.161, 138.864, 149.877
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.770 - 2.430
R-factor	0.1781
Rwork	0.177
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4isz
RMSD bond length	0.008
RMSD bond angle	1.036
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.960	2.490
High resolution limit [Å]	2.430	2.430
Rpim	0.047	0.337
Number of reflections	64578	4462
<I/σ(I)>	22.7	2.1
Completeness [%]	100.0	100
Redundancy	19.3	19.4
CC(1/2)	0.995	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	apoenzyme: 0.12 mM protein, 2.1 M ammonium sulfate, 0.2 M lithium sulfate soak: 2.1 M ammonium sulfate, 0.2 M lithium sulfate, 10 mM CoCl2, 10 mM GTP soak duration: 60 min cryoprotectant: 2.0 M ammonium sulfate, 0.2 M lithium sulfate, 5 mM CoCl2, 5 mM GTP, 20 % (w/v) sucrose