8DC9

RNA ligase RtcB from Pyrococcus horikoshii in complex with Mn2+ and GTP

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]	100
Detector technology	PIXEL
Collection date	2021-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	80.741, 137.284, 150.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 2.470
R-factor	0.1849
Rwork	0.183
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4isj
RMSD bond length	0.008
RMSD bond angle	1.016
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]	49.390	2.530
High resolution limit [Å]	2.470	2.470
Rpim	0.035	0.330
Number of reflections	60682	4442
<I/σ(I)>	15.8	2
Completeness [%]	100.0	100
Redundancy	13.8	12.8
CC(1/2)	0.998	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	apoenzyme crystals: 2.05 M ammonium sulfate, 0.2M lithium sulfate, 12 mM protein soak solution: 2.1 M ammonium sulfate, 0.2M lithium sulfate, 10 mM MnCl2, 10 mM GTP soak duration: 16-18h cryoprotectant: 2.0 M ammonium sulfate, 0.2 M lithium sulfate, 10 mM MnCl2, 5 mM GTP, 19.5 % sucrose