9XV7

Catalytic domain of N1356

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	2024-08-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	40.057, 78.090, 40.222
Unit cell angles	90.00, 113.99, 90.00

Refinement procedure

Resolution	33.680 - 1.200
R-factor	0.13995
Rwork	0.139
R-free	0.15109
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.912
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]	33.680	1.243
High resolution limit [Å]	1.200	1.200
Rmerge	0.056	0.270
Number of reflections	69717	6464
<I/σ(I)>	18.9	4.3
Completeness [%]	98.9
Redundancy	6.3
CC(1/2)	0.999	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% (v/v) PEG 3350, 0.04M citric acid, 0.06M Bis-Tris propane (pH 6.4)