9DO4

Structure of T4 RNA Ligase 1 bound to ATP and Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	C 1 2 1
Unit cell lengths	104.197, 40.114, 107.032
Unit cell angles	90.00, 116.37, 90.00

Refinement procedure

Resolution	27.830 - 2.600
R-factor	0.2247
Rwork	0.221
R-free	0.29580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.966
Data reduction software	XDS (Jun 30, 2023 BUILT=20230630)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.190	1.588
Rpim	0.099	0.824
Number of reflections	12514	1511
<I/σ(I)>	5.5
Completeness [%]	99.8
Redundancy	4.5
CC(1/2)	0.989	0.381

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	300mM MGCl2, 100mM NaCl, 20% PEG 3350