8XEH

Crystal structure of HEPN-MNT complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97942
Spacegroup name	C 1 2 1
Unit cell lengths	113.563, 93.747, 84.958
Unit cell angles	90.00, 123.86, 90.00

Refinement procedure

Resolution	47.150 - 2.400
R-factor	0.2062
Rwork	0.203
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.453
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20rc4_4418)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	28576	1433
<I/σ(I)>	20.33
Completeness [%]	98.4
Redundancy	6.9
CC(1/2)	0.996	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	of 20% (w/v) PEG 3350, pH 7.0 and 0.2 M ammonium citrate tribasic