8GQ9

Crystal structure of lasso peptide epimerase MslH

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	2021-10-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.900000
Spacegroup name	I 4 2 2
Unit cell lengths	128.017, 128.017, 170.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.650 - 2.300
R-factor	0.1788
Rwork	0.177
R-free	0.20540
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.539
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.260	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.259	2.225
Number of reflections	31782	3075
<I/σ(I)>	20.3	2.7
Completeness [%]	100.0	98.9
Redundancy	50.7	43.2
CC(1/2)	0.999	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	5.00 mg/mL MslH, 200 mM magnesium chloride, 100 mM Tris-HCl, 28% (w/v) PEG400