9XV6

Catalytic domain of N1363

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	44.083, 40.901, 68.399
Unit cell angles	90.00, 105.43, 90.00

Refinement procedure

Resolution	34.760 - 1.400
Rwork	0.138
R-free	0.14300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.786
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.780
High resolution limit [Å]	1.400	1.400
Rmerge	0.032	0.171
Number of reflections	45798	1085
<I/σ(I)>	13.2
Completeness [%]	98.5
Redundancy	1.8
CC(1/2)	0.998	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	16% (v/v) PEG 3350, 0.07M citric acid, 0.03M Bis-Tris propane (pH 3.4)