8GQB

Crystal structure of lasso peptide epimerase MslH D11A mutant

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	2022-06-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.000000
Spacegroup name	I 4 2 2
Unit cell lengths	127.115, 127.115, 170.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.940 - 2.410
R-factor	0.1973
Rwork	0.196
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8gq9
RMSD bond length	0.002
RMSD bond angle	0.485
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]	44.940	2.500
High resolution limit [Å]	2.410	2.410
Rmerge	0.142	1.425
Number of reflections	51614	2833
<I/σ(I)>	16.3	2.2
Completeness [%]	100.0	100
Redundancy	16.3	15.3
CC(1/2)	0.999	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	5.00 mg/mL MslH D11A, 200 mM magnesium chloride, 100 mM Tris-HCl, 20% (w/v) PEG400