8ITG
Crystal structure of lasso peptide epimerase MslH in complexed with precursor peptide variant MslAW21G
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 | 2023-03-11 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.03500 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 127.232, 127.232, 170.611 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.980 - 2.250 |
R-factor | 0.1837 |
Rwork | 0.182 |
R-free | 0.20680 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.542 |
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] | 45.180 | 2.180 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.080 | 0.821 |
Rmeas | 0.092 | 0.947 |
Rpim | 0.046 | 0.466 |
Number of reflections | 40284 | 3264 |
<I/σ(I)> | 18.7 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.6 | 7.9 |
CC(1/2) | 0.999 | 0.810 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 200 mM magnesium chloride, 100 mM Tris-HCl (pH 9.0), 34% (w/v) PEG400 |