8ITH

Crystal structure of lasso peptide epimerase MslH H295N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-04
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.03500
Spacegroup name	I 4 2 2
Unit cell lengths	127.888, 127.888, 171.292
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.220 - 2.550
R-factor	0.1859
Rwork	0.183
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.507
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.220	2.660
High resolution limit [Å]	2.550	2.550
Rmerge	0.112	0.934
Rmeas	0.129	1.071
Rpim	0.062	0.515
Number of reflections	43288	2797
<I/σ(I)>	15.1	2.3
Completeness [%]	98.7	99.6
Redundancy	7.6	7.9
CC(1/2)	0.997	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	297	200 mM magnesium chloride, 100 mM Tris-HCl, 28% (w/v) PEG400