9DF9

Thermococcus gammatolerans DNA Ligase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	291
Detector technology	PIXEL
Collection date	2024-07-02
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	77.000, 89.400, 111.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.660 - 3.000
R-factor	0.2499
Rwork	0.248
R-free	0.28690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.598
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	10.000	3.500
High resolution limit [Å]	3.000	10.000	3.000
Rmerge	0.071	0.032	1.446
Rmeas	0.077	0.036	1.571
Rpim	0.037
Number of reflections	15884	485	5754
<I/σ(I)>	13.64	37.31	1.63
Completeness [%]	99.8	96.6	99.8
Redundancy	6.34978	5.1319	6.549
CC(1/2)	0.999	0.999	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		291	10% PEG 8000, 200 mM MgCl2, 175 mM Tris-HCl pH 7, [9mg/ml protein]